Structure Information
Structure

Compound Identification

SMILES

CSC1=NC=C(Cl)C(=N1)C(=O)NNC(=O)C1=CC=CC=C1Br

InChIKey

InChIKey=BZWRGWJYFMJHSP-UHFFFAOYSA-N

Formula

C13H10BrClN4O2S

Mass

401.66

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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

2-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

2-halobenzoic acid or derivatives - Pyrimidine-6-carboxylic acid or derivatives - Aryl thioether - Benzoyl - Bromobenzene - Halobenzene - Alkylarylthioether - Halopyrimidine - Aryl bromide - Aryl chloride - Aryl halide - Pyrimidine - Heteroaromatic compound - Vinylogous halide - Carboxylic acid hydrazide - Sulfenyl compound - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Thioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.

External Descriptors

Not available

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