Structure Information
Structure

Compound Identification

SMILES

CC1=C(C)C=C(C=C1)N1N=C2C=CC(NC(=O)C3=C(Cl)C=CC(Br)=C3)=CC2=N1

InChIKey

InChIKey=TVDOAFISKAJKBI-UHFFFAOYSA-N

Formula

C21H16BrClN4O

Mass

455.74

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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-1,2,3-triazoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenyl-1,2,3-triazole - 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzotriazole - Benzoic acid or derivatives - Benzamide - O-xylene - Benzoyl - Xylene - Chlorobenzene - Halobenzene - Bromobenzene - Benzenoid - Aryl halide - Aryl chloride - Aryl bromide - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous halide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenyl-1,2,3-triazoles. These are organic compounds containing a 1,2,3-triazole substituted by a phenyl group.

External Descriptors

Not available

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