Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC(=C1)C1=NN=C(SCC(=O)NC2=C(Cl)C=C(Br)C=C2)N1CC=C

InChIKey

InChIKey=OFBUUFRIQHTMTA-UHFFFAOYSA-N

Formula

C20H18BrClN4O2S

Mass

493.8

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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 - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Methoxybenzene - N-arylamide - Alkyl aryl ether - Halobenzene - Chlorobenzene - Bromobenzene - Alkylarylthioether - Aryl bromide - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Sulfenyl compound - Thioether - Carboxylic acid derivative - Ether - Organooxygen compound - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organobromide - Organochloride - Hydrocarbon derivative - Organic oxide - Organonitrogen 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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