Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC=C1NC(=O)CSC1=NN=C([C@H](C)NC2=CC=C(Br)C=C2)N1C1=CC=CC=C1

InChIKey

InChIKey=NNWGJLAWIRNBHN-KRWDZBQOSA-N

Formula

C25H24BrN5O2S

Mass

538.46

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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 - Anilide - Methoxyaniline - Phenoxy compound - Aryl thioether - Anisole - Aniline or substituted anilines - Phenol ether - Phenylalkylamine - N-arylamide - Methoxybenzene - Bromobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aralkylamine - Alkylarylthioether - Alkyl aryl ether - Aryl bromide - Benzenoid - Monocyclic benzene moiety - Aryl halide - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Secondary amine - Thioether - Azacycle - Carboxylic acid derivative - Ether - Sulfenyl compound - Organosulfur compound - Organohalogen compound - Organobromide - Amine - Carbonyl group - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen 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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