Structure Information
Structure

Compound Identification

SMILES

CSC1=CC(C(=O)OCN2N=NC3=CC=CC=C3C2=O)=C(Cl)C=C1

InChIKey

InChIKey=WUCTZCUFAQHDOE-UHFFFAOYSA-N

Formula

C16H12ClN3O3S

Mass

361.8

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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

M-sulfanylbenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzoate ester - Benzo-1,2,3-triazine - M-sulfanylbenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Aryl thioether - Benzoyl - Thiophenol ether - Chlorobenzene - Halobenzene - Triazinone - Alkylarylthioether - Aryl chloride - Aryl halide - Triazine - 1,2,3-triazine - Vinylogous halide - Heteroaromatic compound - Carboxylic acid ester - Lactam - Azacycle - Sulfenyl compound - Thioether - Organoheterocyclic compound - Carboxylic acid derivative - Organosulfur compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as m-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 3, respectively.

External Descriptors

Not available

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