bencarbazone (CHEBI:145865)

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ChEBI Name	bencarbazone

ChEBI ID	CHEBI:145865

Definition	A thiocarboxamide that is benzenecarbothioamide substituted by a fluoro, 4-methyl-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl, and (ethanesulfonyl)nitrilo groups at positions 3,4 and 6, respectively. It is a herbicide used for the post-emergent control of broad-leaved weeds in corn, cereals, and sugar cane.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C13H13F4N5O3S2

Net Charge

Average Mass

427.390

Monoisotopic Mass

427.03959

InChI

InChI=1S/C13H13F4N5O3S2/c1-3-27(24,25)20-8-5-9(7(14)4-6(8)10(18)26)22-12(23)21(2)11(19-22)13(15,16)17/h4-5,20H,3H2,1-2H3,(H2,18,26)

InChIKey

LVKBXDHACCFCTA-UHFFFAOYSA-N

SMILES

C=1(C=C(C(=CC1C(=S)N)F)N2N=C(N(C2=O)C)C(F)(F)F)NS(CC)(=O)=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).

Application(s):	herbicide A substance used to destroy plant pests. agrochemical An agrochemical is a substance that is used in agriculture or horticulture.

ChEBI Ontology
Outgoing	bencarbazone (CHEBI:145865) has role agrochemical (CHEBI:33286) bencarbazone (CHEBI:145865) has role EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor (CHEBI:73192) bencarbazone (CHEBI:145865) has role herbicide (CHEBI:24527) bencarbazone (CHEBI:145865) is a monofluorobenzenes (CHEBI:83575) bencarbazone (CHEBI:145865) is a sulfonamide (CHEBI:35358) bencarbazone (CHEBI:145865) is a thiocarboxamide (CHEBI:47956) bencarbazone (CHEBI:145865) is a triazoles (CHEBI:35727)

IUPAC Name

2-[(ethylsulfonyl)amino]-5-fluoro-4-[4-methyl-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl]benzenecarbothioamide

Synonyms	Sources
2-(ethanesulfonamido)-5-fluoro-4-[4-methyl-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl]benzene-1-carbothioamide	Alan Wood's Pesticides
2-[(ethanesulfonyl)amino]-5-fluoro-4-[4-methyl-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl]benzene-1-carbothioamide	IUPAC
4-[4,5-dihydro-4-methyl-5-oxo-3-(trifluoromethyl)-1H-1,2,4-triazol-1-yl]-2-[(ethylsulfonyl)amino]-5-fluorobenzenecarbothioamide	Alan Wood's Pesticides
HWH 4991	PPDB
HWH-4991	ChEBI
TM 435	ChEBI
TM-435	PPDB

Brand Name	Source
Midas	ChEBI

Last Modified

23 January 2020