Structure Information
Structure

Compound Identification

SMILES

CC1=NOC(CSC2=CC=CC=C2C(=O)NC2=NC(=CS2)C2=CC=C(C)C=C2)=N1

InChIKey

InChIKey=ZBSFKSDPLHWQDO-UHFFFAOYSA-N

Formula

C21H18N4O2S2

Mass

422.52

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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 heteromonocyclic compounds

Substituents

O-sulfanylbenzoic acid or derivatives - Benzamide - Aryl thioether - Benzoyl - Thiophenol ether - 2,4-disubstituted 1,3-thiazole - Alkylarylthioether - Toluene - Vinylogous thioester - 1,2,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic 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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