Structure Information
Structure

Compound Identification

SMILES

[O-]C1=C(C=NNC(=O)CSC2=NNC(C3=CC=CC=C3)=[N+]2C2=CC=C(Cl)C=C2)C=C(Br)C=C1

InChIKey

InChIKey=FJYXXUBBCYENRM-UHFFFAOYSA-N

Formula

C23H17BrClN5O2S

Mass

542.84

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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 - Chlorobenzene - Alkylarylthioether - Halobenzene - Phenoxide - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azacycle - Carboxylic acid derivative - Sulfenyl compound - Thioether - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Organic zwitterion - Organic salt - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - 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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