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CHEBI:83657 - isotianil

ChEBI IDCHEBI:83657
ChEBI Nameisotianil
Stars
DefinitionA monocarboxylic acid amide resulting from the formal condensation of the carboxy group of 3,4-dichloro-1,2-thiazole-5-carboxylic acid with o-cyanoaniline. It is a fungicide used for the control of rice blast.
Last Modified13 March 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC11H5Cl2N3OS
Net Charge0
Average Mass298.154
Monoisotopic Mass296.95304
SMILESN#Cc1ccccc1NC(=O)c1snc(Cl)c1Cl
InChIInChI=1S/C11H5Cl2N3OS/c12-8-9(18-16-10(8)13)11(17)15-7-4-2-1-3-6(7)5-14/h1-4H,(H,15,17)
InChIKeyWLPCAERCXQSYLQ-UHFFFAOYSA-N
Roles Classification
Biological Roles:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
fungicide  A substance used to destroy fungal pests.
fungicide  A substance used to destroy fungal pests.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
fungicide  A substance used to destroy fungal pests.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
Applications:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
fungicide  A substance used to destroy fungal pests.
fungicide  A substance used to destroy fungal pests.
fungicide  A substance used to destroy fungal pests.
ChEBI Ontology
Outgoing Relation(s)
isotianil (CHEBI:83657) has role antifungal agrochemical (CHEBI:86328)
isotianil (CHEBI:83657) is a 1,2-thiazoles (CHEBI:48902)
isotianil (CHEBI:83657) is a anilide fungicide (CHEBI:87015)
isotianil (CHEBI:83657) is a monocarboxylic acid amide (CHEBI:29347)
isotianil (CHEBI:83657) is a nitrile (CHEBI:18379)
isotianil (CHEBI:83657) is a organochlorine compound (CHEBI:36683)
IUPAC Name 
3,4-dichloro-N-(2-cyanophenyl)-1,2-thiazole-5-carboxamide
Synonym  Source
3,4-dichloro-2'-cyano-1,2-thiazole-5-carboxanilideAlan Wood's Pesticides
Manual XrefsDatabases
isotianilAlan Wood's Pesticides
1363PPDB
Registry NumbersSources
Reaxys:11326450Reaxys
CAS:224049-04-1Alan Wood's Pesticides
CAS:224049-04-1ChemIDplus
Citations