Structure Information
Structure

Compound Identification

SMILES

CCN1C(CNC(=O)C2=CC=CC=C2Br)=NN=C1SCC(=O)NC1=CC(Cl)=CC(Cl)=C1

InChIKey

InChIKey=XOFNTPPOXAFSSH-UHFFFAOYSA-N

Formula

C20H18BrCl2N5O2S

Mass

543.26

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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 - Anilide - Benzamide - 1,3-dichlorobenzene - N-arylamide - Benzoyl - Aryl thioether - Chlorobenzene - Alkylarylthioether - Halobenzene - Bromobenzene - Aryl bromide - Aryl chloride - Aryl halide - 1,2,4-triazole - Vinylogous halide - Heteroaromatic compound - Azole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid derivative - Thioether - Organooxygen compound - Organic nitrogen compound - Organosulfur compound - Carbonyl group - Organohalogen compound - Organobromide - Organochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen 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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