cafenstrole (CHEBI:81787)

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ChEBI Name	cafenstrole

ChEBI ID	CHEBI:81787

Definition	A member of the class of thiazoles that is 1,2,4-triazolethat is substituted at positiosn 1 and 3 by diethylaminocarbonyl and 3-mesitylsulfonyl groups, respectively. An animitotic, it is used to control of grassy weeds in rice paddys. Not approved for use in the European Union.

Stars	This entity has been manually annotated by a third party.

Supplier Information

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Formula

C16H22N4O3S

Net Charge

Average Mass

350.438

Monoisotopic Mass

350.14126

InChI

InChI=1S/C16H22N4O3S/c1-6-19(7-2)16(21)20-10-17-15(18-20)24(22,23)14-12(4)8-11(3)9-13(14)5/h8-10H,6-7H2,1-5H3

InChIKey

HFEJHAAIJZXXRE-UHFFFAOYSA-N

SMILES

C1(=C(C(=CC(=C1)C)C)S(C2=NN(C=N2)C(N(CC)CC)=O)(=O)=O)C

Roles Classification
Biological Role(s):	antimitotic Any compound that inhibits cell division (mitosis).

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	cafenstrole (CHEBI:81787) has role agrochemical (CHEBI:33286) cafenstrole (CHEBI:81787) has role antimitotic (CHEBI:64911) cafenstrole (CHEBI:81787) has role herbicide (CHEBI:24527) cafenstrole (CHEBI:81787) is a benzenes (CHEBI:22712) cafenstrole (CHEBI:81787) is a sulfone (CHEBI:35850) cafenstrole (CHEBI:81787) is a triazoles (CHEBI:35727)

IUPAC Name

N,N-diethyl-3-(mesitylsulfonyl)-1H-1,2,4-triazole-1-carboxamide

Synonyms	Sources
N,N-diethyl-3-(2,4,6-trimethylbenzene-1-sulfonyl)-1H-1,2,4-triazole-1-carboxamide	Alan Wood's Pesticides
N,N-diethyl-3-[(2,4,6-trimethylphenyl)sulfonyl]-1H-1,2,4-triazole-1-carboxamide	Alan Wood's Pesticides
N,N-diethyl-3-mesitylsulfonyl-1H-1,2,4-triazole-1-carboxamide	Alan Wood's Pesticides

Last Modified

22 December 2017