Structure Information
Structure

Compound Identification

SMILES

CN(C=C(SC1=CC=CC=C1)SC1=CC=CC=C1)C(=O)C1=CC=CC=C1Br

InChIKey

InChIKey=RDEGVNKCFXTNLT-UHFFFAOYSA-N

Formula

C22H18BrNOS2

Mass

456.42

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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 homomonocyclic compounds

Substituents

2-halobenzoic acid or derivatives - Benzamide - Aryl thioether - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Vinylogous halide - Tertiary carboxylic acid amide - Carboxamide group - Sulfenyl compound - Carboxylic acid derivative - Organohalogen compound - Organooxygen compound - Organic nitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organobromide - Organonitrogen compound - Aromatic homomonocyclic 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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