Structure Information
Structure

Compound Identification

SMILES

CC[NH+](CC)C1=CC([O-])=C(C=NNC(=O)CSC2=NN=C(N2C2=CC=CC=C2)C2=CC=C(Br)C=C2)C=C1

InChIKey

InChIKey=XCBFVHGDBDIJQX-UHFFFAOYSA-N

Formula

C27H27BrN6O2S

Mass

579.52

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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 - Phenylalkylamine - Aniline or substituted anilines - Bromobenzene - Halobenzene - Phenoxide - Alkylarylthioether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid derivative - Azacycle - Thioether - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic salt - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - 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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