Structure Information
Structure

Compound Identification

SMILES

CC1=CC(CC2=CN=C(NC(=O)CSC3=NN=C(N3C3=CC=C(Cl)C=C3)C3=CC=CO3)S2)=CC=C1

InChIKey

InChIKey=KJEQHDXRNAVXHB-UHFFFAOYSA-N

Formula

C25H20ClN5O2S2

Mass

522.04

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Triazoles

Intermediate Tree Nodes

Phenyltriazoles

Direct Parent

Phenyl-1,2,4-triazoles

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Phenyl-1,2,4-triazole - Aryl thioether - N-arylamide - 2,5-disubstituted 1,3-thiazole - Chlorobenzene - Halobenzene - Toluene - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Furan - Heteroaromatic compound - Thiazole - Secondary carboxylic acid amide - Carboxamide group - Thioether - Azacycle - Sulfenyl compound - Oxacycle - Carboxylic acid derivative - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic 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

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