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CHEBI:81787 - cafenstrole

ChEBI IDCHEBI:81787
ChEBI Namecafenstrole
Stars
DefinitionA 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.
Last Modified22 December 2017
DownloadsMolfile
FormulaC16H22N4O3S
Net Charge0
Average Mass350.444
Monoisotopic Mass350.14126
SMILESCCN(CC)C(=O)n1cnc(S(=O)(=O)c2c(C)cc(C)cc2C)n1
InChIInChI=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
InChIKeyHFEJHAAIJZXXRE-UHFFFAOYSA-N
Roles Classification
Biological Role:
antimitotic  Any compound that inhibits cell division (mitosis).
Applications:
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
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  Source
N,N-diethyl-3-(2,4,6-trimethylbenzene-1-sulfonyl)-1H-1,2,4-triazole-1-carboxamideAlan Wood's Pesticides
N,N-diethyl-3-[(2,4,6-trimethylphenyl)sulfonyl]-1H-1,2,4-triazole-1-carboxamideAlan Wood's Pesticides
N,N-diethyl-3-mesitylsulfonyl-1H-1,2,4-triazole-1-carboxamideAlan Wood's Pesticides
Manual XrefsDatabases
C18497KEGG COMPOUND
cafenstroleAlan Wood's Pesticides
858PPDB
Registry NumbersSources
CAS:125306-83-4KEGG COMPOUND
CAS:125306-83-4Alan Wood's Pesticides
CAS:125306-83-4ChemIDplus
Citations