Structure Information
Structure

Compound Identification

SMILES

CC(=C)CN1C(SCC(=O)NN=CC2=C(F)C=CC=C2Cl)=NN=C1C1=CC=C(Br)C=C1

InChIKey

InChIKey=HKMBAEROWJLYOK-UHFFFAOYSA-N

Formula

C21H18BrClFN5OS

Mass

522.82

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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 - Halobenzene - Fluorobenzene - Chlorobenzene - Bromobenzene - Alkylarylthioether - Aryl bromide - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thioether - Sulfenyl compound - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organohalogen compound - Organobromide - Organochloride - Organofluoride - Organonitrogen compound - Carbonyl group - 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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