Structure Information
Structure

Compound Identification

SMILES

ClC1=C(C=C(Br)C=C1)C(=O)NCC1=NN=C(SCC(=O)NC2=NC=CS2)N1C1=CC=CC=C1

InChIKey

InChIKey=ZSUNRGICAHNMPH-UHFFFAOYSA-N

Formula

C21H16BrClN6O2S2

Mass

563.87

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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 - 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - Benzoyl - Aryl thioether - N-arylamide - Alkylarylthioether - Bromobenzene - Halobenzene - Chlorobenzene - Benzenoid - Aryl halide - Monocyclic benzene moiety - Aryl bromide - Aryl chloride - Thiazole - Heteroaromatic compound - Vinylogous halide - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Thioether - Organic nitrogen compound - Organohalogen compound - Organobromide - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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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