Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC=C1\C=N\NC(=O)C1=C(SSC2=C(C=C(Cl)C=C2)C(=O)N\N=C\C2=CC=CC=C2OC)C=CC(Cl)=C1

InChIKey

InChIKey=XWQAZZFGBWKGFV-WMFSDKRHSA-N

Formula

C30H24Cl2N4O4S2

Mass

639.57

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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

Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - O-sulfanylbenzoic acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Organic disulfide - Sulfenyl compound - Carboxylic acid derivative - Ether - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen 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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