Structure Information
Structure

Compound Identification

SMILES

ClC(Cl)(Cl)C(NC(=S)NC1=NC=NN1)NC(=O)C1=CC=C(Br)C=C1

InChIKey

InChIKey=VAYRHKMCBCLPSP-UHFFFAOYSA-N

Formula

C12H10BrCl3N6OS

Mass

472.57

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Halobenzoic acids and derivatives

Direct Parent

4-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

4-halobenzoic acid or derivatives - Benzamide - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Heteroaromatic compound - 1,2,4-triazole - Azole - Thiourea - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxide - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Alkyl chloride - Organic nitrogen compound - Organosulfur compound - Organic oxygen compound - Hydrocarbon derivative - Alkyl halide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.

External Descriptors

Not available

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