Structure Information
Structure

Compound Identification

SMILES

CNC(=O)C1=CC=CC=C1S(=O)CC1=CC=C(Br)C=C1

InChIKey

InChIKey=BFRVTWIZTRUSBV-UHFFFAOYSA-N

Formula

C15H14BrNO2S

Mass

352.25

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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

Sulfanylbenzoic acids and derivatives

Direct Parent

O-sulfanylbenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Benzyl sulfoxide - O-sulfanylbenzoic acid or derivatives - Phenyl sulfoxide - Benzamide - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Sulfoxide - Secondary carboxylic acid amide - Carboxamide group - Sulfinyl compound - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as o-sulfanylbenzoic acids and derivatives. These are benzoic acids (or derivatives) which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 2, respectively.

External Descriptors

Not available

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