Compound Identification
SMILES
COC1=C(C=C(Cl)C=C1)C1=NN=C(SCC(=O)NC2=C(C#N)C3=C(CC(C)CC3)S2)N1C
InChIKey
InChIKey=ZHJAVPQRVWAGKW-UHFFFAOYSA-N
Formula
C22H22ClN5O2S2
Mass
488.02
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
-
Subclass
Triazoles
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Level 5
Phenyltriazoles
- Level 6 Phenyl-1,2,4-triazoles
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Level 5
Phenyltriazoles
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Subclass
Triazoles
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Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Triazoles
Intermediate Tree Nodes
Phenyltriazoles
Direct Parent
Phenyl-1,2,4-triazoles
Alternative Parents
Phenoxy compounds Anisoles N-arylamides Methoxybenzenes Alkyl aryl ethers Alkylarylthioethers Chlorobenzenes Aryl chlorides Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Nitriles Azacyclic compounds Organochlorides Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,2,4-triazole - Anisole - Phenol ether - N-arylamide - Methoxybenzene - Aryl thioether - Phenoxy compound - Alkylarylthioether - Chlorobenzene - Halobenzene - Alkyl aryl ether - Monocyclic benzene moiety - Aryl chloride - Benzenoid - Aryl halide - Heteroaromatic compound - Thiophene - Carboxamide group - Secondary carboxylic acid amide - Thioether - Azacycle - Carboxylic acid derivative - Ether - Sulfenyl compound - Nitrile - Carbonitrile - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group.
External Descriptors
Not available