Structure Information
Structure

Compound Identification

SMILES

CC1=CC(=CC=C1)N1C(CC2=CC=CC=C2)=NN=C1SCC1=CC=C(Br)C=C1

InChIKey

InChIKey=ZKOCDWZBOUHJEV-UHFFFAOYSA-N

Formula

C23H20BrN3S

Mass

450.4

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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 - Bromobenzene - Halobenzene - Toluene - Alkylarylthioether - Benzenoid - Aryl halide - Aryl bromide - Monocyclic benzene moiety - Heteroaromatic compound - Sulfenyl compound - Thioether - Azacycle - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - 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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