Structure Information
Structure

Compound Identification

SMILES

CSC1=CC=CC=C1C(=O)NC1=C(Br)C2=C(C=C1)N=C(C)O2

InChIKey

InChIKey=YUJHPJGQDUWXST-UHFFFAOYSA-N

Formula

C16H13BrN2O2S

Mass

377.26

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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

Sulfanylbenzoic acids and derivatives

Direct Parent

O-sulfanylbenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

O-sulfanylbenzoic acid or derivatives - Benzamide - Benzoxazole - Aryl thioether - Benzoyl - Thiophenol ether - Alkylarylthioether - Aryl bromide - Aryl halide - Vinylogous thioester - Azole - Heteroaromatic compound - Oxazole - Secondary carboxylic acid amide - Carboxamide group - Thioether - Organoheterocyclic compound - Sulfenyl compound - Azacycle - Carboxylic acid derivative - Oxacycle - Organic oxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic 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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