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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

ChEBI IDCHEBI:141220
ChEBI Namemethyl {[2-chloro-4-fluoro-5-(1-oxo-3-sulfanylidenetetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-2(3H)-yl)phenyl]sulfanyl}acetate
Stars
ASCII Namemethyl {[2-chloro-4-fluoro-5-(1-oxo-3-sulfanylidenetetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-2(3H)-yl)phenyl]sulfanyl}acetate
DefinitionA 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.
Last Modified10 May 2019
SubmitterAdnan
DownloadsMolfile
FormulaC15H15ClFN3O3S2
Net Charge0
Average Mass403.888
Monoisotopic Mass403.02274
SMILESCOC(=O)CSc1cc(-n2c(=O)n3n(c2=S)CCCC3)c(F)cc1Cl
InChIInChI=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
InChIKeyJPRHYONDYMOGHT-UHFFFAOYSA-N
Roles Classification
Biological Role:
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).
Application:
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
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  Source
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 esterChEBI
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]sulfanylacetateChEBI
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]sulfanylacetateChEBI
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 esterChEBI
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]sulfanylethanoateChEBI
[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 esterChEBI