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CHEBI:81767 - imibenconazole

ChEBI IDCHEBI:81767
ChEBI Nameimibenconazole
Stars
DefinitionA member of the class of imidothioates that is the S-4-chlorobenzyl thioester of N-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanimidothioic acid. Used to control a range of fungal diseases affecting fruit, vegetables, turf and ornamentals. It has a low mammalian toxicity and shows a moderate level of toxicity to fish, daphnia and earthworms but is relatively non-toxic to honey bees, birds and algae.
Last Modified26 November 2019
DownloadsMolfile
FormulaC17H13Cl3N4S
Net Charge0
Average Mass411.745
Monoisotopic Mass409.99265
SMILESClc1ccc(CSC(Cn2cncn2)=Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H13Cl3N4S/c18-13-3-1-12(2-4-13)9-25-17(8-24-11-21-10-22-24)23-16-6-5-14(19)7-15(16)20/h1-7,10-11H,8-9H2
InChIKeyAGKSTYPVMZODRV-UHFFFAOYSA-N
Roles Classification
Biological Roles:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor  An EC 1.14.13.* (oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor) inhibitor that interferes with the action of EC 1.14.13.70 (sterol 14α-demethylase).
fungicide  A substance used to destroy fungal pests.
ergosterol biosynthesis inhibitor  Any compound that inhibits one or more steps in the pathway leading to the synthesis of ergosterol.
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.
ergosterol biosynthesis inhibitor  Any compound that inhibits one or more steps in the pathway leading to the synthesis of ergosterol.
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.
ChEBI Ontology
Outgoing Relation(s)
imibenconazole (CHEBI:81767) has role antifungal agrochemical (CHEBI:86328)
imibenconazole (CHEBI:81767) has role EC 1.14.13.70 (sterol 14α-demethylase) inhibitor (CHEBI:77884)
imibenconazole (CHEBI:81767) is a conazole fungicide (CHEBI:87067)
imibenconazole (CHEBI:81767) is a dichlorobenzene (CHEBI:23697)
imibenconazole (CHEBI:81767) is a imidothioate (CHEBI:83991)
imibenconazole (CHEBI:81767) is a monochlorobenzenes (CHEBI:83403)
imibenconazole (CHEBI:81767) is a triazole fungicide (CHEBI:87100)
imibenconazole (CHEBI:81767) is a triazoles (CHEBI:35727)
IUPAC Name 
4-chlorobenzyl N-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanimidothioate
Synonyms  Source
4-chlorobenzyl N-2,4-dichlorophenyl-2-(1H-1,2,4-triazol-1-yl)thioacetamidateChemIDplus
(4-chlorophenyl)methyl N-(2,4-dichlorophenyl)-1H-1,2,4-triazole-1-ethanimidothioateAlan Wood's Pesticides
HF 8505ChemIDplus
HF 6305PPDB
Brand Name  Source
ManageChemIDplus
Manual XrefsDatabases
C18468KEGG COMPOUND
imibenconazoleAlan Wood's Pesticides
CN101167455Patent
CN101106903Patent
1026PPDB
Registry NumbersSources
Reaxys:11339125Reaxys
CAS:86598-92-7ChemIDplus
CAS:86598-92-7NIST Chemistry WebBook
Citations