Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)N1C(SCC2=CC=C(Br)C=C2)=NN=C1C1=CC=C(Cl)C=C1

InChIKey

InChIKey=KMRBDRUFBPJQAU-UHFFFAOYSA-N

Formula

C22H17BrClN3OS

Mass

486.81

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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 - Methoxyaniline - Anisole - Phenoxy compound - Aryl thioether - Phenol ether - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Aryl bromide - Heteroaromatic compound - Ether - Azacycle - Thioether - Sulfenyl compound - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - 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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