Structure Information
Structure

Compound Identification

SMILES

CS(=O)(=O)NN1C(=O)C2=C(SC(=C2)C2=CC=CC=C2)N=C1SC1=CC=CC=C1C(O)=O

InChIKey

InChIKey=CWSHIEMMFHSFMA-UHFFFAOYSA-N

Formula

C20H15N3O5S3

Mass

473.54

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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

Benzoic acids

Direct Parent

2-pyrimidinylthiobenzoic acids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-pyrimidinylthiobenzoic acid - Diarylthioether - O-sulfanylbenzoic acid - O-sulfanylbenzoic acid or derivatives - Thienopyrimidine - Benzoyl - Aryl thioether - Thiophenol ether - 2,3,5-trisubstituted thiophene - Pyrimidone - Sulfonohydrazide - Pyrimidine - Hydrazinosulfonyl compound - Vinylogous thioester - Sulfonyl - Organosulfonic acid or derivatives - Heteroaromatic compound - Thiophene - Organic sulfonic acid or derivatives - Lactam - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 2-pyrimidinylthiobenzoic acids. These are benzoic acids that carry a 2-thiopyrimidine at the 2-position of the benzene ring.

External Descriptors

Not available

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