CHEBI:141220 - methyl {[2-chloro-4-fluoro-5-(1-oxo-3-sulfanylidenetetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-2(3H)-yl)phenyl]sulfanyl}acetate

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ChEBI Name methyl {[2-chloro-4-fluoro-5-(1-oxo-3-sulfanylidenetetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-2(3H)-yl)phenyl]sulfanyl}acetate
ChEBI ID CHEBI:141220
ChEBI ASCII Name methyl {[2-chloro-4-fluoro-5-(1-oxo-3-sulfanylidenetetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-2(3H)-yl)phenyl]sulfanyl}acetate
Definition A triazolopyridazine that is tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine which is substituted at positions 1, 3, and 4 by oxo, sulfanyl and 4-chloro-2-fluoro-5-[(2-methoxy-2-oxoethyl)sulfanyl]phenyl groups, respectively. The active metabolite of the proherbicide fluthiacet-methyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C15H15ClFN3O3S2
Net Charge 0
Average Mass 403.882
Monoisotopic Mass 403.02274
InChI InChI=1S/C15H15ClFN3O3S2/c1-23-13(21)8-25-12-7-11(10(17)6-9(12)16)20-14(22)18-4-2-3-5-19(18)15(20)24/h6-7H,2-5,8H2,1H3
InChIKey JPRHYONDYMOGHT-UHFFFAOYSA-N
SMILES N12CCCCN1C(N(C2=S)C=3C(=CC(=C(C3)SCC(=O)OC)Cl)F)=O
Roles Classification
Biological Role(s): EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor
An EC 1.3.3.* (oxidoreductase acting on donor CH-CH group with oxygen as acceptor) inhibitor that interferes with the action of protoporphyrinogen oxidase (EC 1.3.3.4).
(via methyl {[2-chloro-4-fluoro-5-(1-oxo-3-sulfanylidenetetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-2(3H)-yl)phenyl]sulfanyl}acetate )
Application(s): herbicide
A substance used to destroy plant pests.
(via methyl {[2-chloro-4-fluoro-5-(1-oxo-3-sulfanylidenetetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-2(3H)-yl)phenyl]sulfanyl}acetate )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing methyl {[2-chloro-4-fluoro-5-(1-oxo-3-sulfanylidenetetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-2(3H)-yl)phenyl]sulfanyl}acetate (CHEBI:141220) has role EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor (CHEBI:73192)
methyl {[2-chloro-4-fluoro-5-(1-oxo-3-sulfanylidenetetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-2(3H)-yl)phenyl]sulfanyl}acetate (CHEBI:141220) has role herbicide (CHEBI:24527)
methyl {[2-chloro-4-fluoro-5-(1-oxo-3-sulfanylidenetetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-2(3H)-yl)phenyl]sulfanyl}acetate (CHEBI:141220) is a aryl sulfide (CHEBI:35683)
methyl {[2-chloro-4-fluoro-5-(1-oxo-3-sulfanylidenetetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-2(3H)-yl)phenyl]sulfanyl}acetate (CHEBI:141220) is a methyl ester (CHEBI:25248)
methyl {[2-chloro-4-fluoro-5-(1-oxo-3-sulfanylidenetetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-2(3H)-yl)phenyl]sulfanyl}acetate (CHEBI:141220) is a monochlorobenzenes (CHEBI:83403)
methyl {[2-chloro-4-fluoro-5-(1-oxo-3-sulfanylidenetetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-2(3H)-yl)phenyl]sulfanyl}acetate (CHEBI:141220) is a monofluorobenzenes (CHEBI:83575)
methyl {[2-chloro-4-fluoro-5-(1-oxo-3-sulfanylidenetetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-2(3H)-yl)phenyl]sulfanyl}acetate (CHEBI:141220) is a thiocarbonyl compound (CHEBI:50492)
methyl {[2-chloro-4-fluoro-5-(1-oxo-3-sulfanylidenetetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-2(3H)-yl)phenyl]sulfanyl}acetate (CHEBI:141220) is a triazolopyridazine (CHEBI:48384)
IUPAC Name
methyl {[2-chloro-4-fluoro-5-(1-oxo-3-sulfanylidenetetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-2(3H)-yl)phenyl]sulfanyl}acetate
Synonyms Sources
2-[[2-chloro-4-fluoro-5-(1-keto-3-thioxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazin-2-yl)phenyl]thio]acetic acid methyl ester ChEBI
2-[[2-chloro-4-fluoro-5-(1-oxo-3-sulfanylidene-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazin-2-yl)phenyl]thio]acetic acid methyl ester ChEBI
[2-chloro-4-fluoro-5-(2,3,5,6,7,8-hexahydro-3-oxo-1-thioxo-1H-[1,2,4]triazolo[1,2-a]pyridazine-2-yl)phenylthio]acetic acid methyl ester ChEBI
[[2-Chloro-4-fluoro-5-[(1-oxo-3-thioxo-2,3,5,6,7,8-hexahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin)-2-yl]phenyl]thio]acetic acid methyl ester ChEBI
BW-110 ChEBI
methyl 2-[2-chloranyl-4-fluoranyl-5-(1-oxidanylidene-3-sulfanylidene-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazin-2-yl)phenyl]sulfanylethanoate ChEBI
methyl 2-[2-chloro-4-fluoro-5-(1-oxo-3-sulfanylidene-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazin-2-yl)phenyl]sulfanylacetate ChEBI
methyl 2-[2-chloro-4-fluoro-5-(1-oxo-3-thioxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazin-2-yl)phenyl]sulfanylacetate ChEBI
Last Modified
10 May 2019