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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
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Level 5
Benzoic acids
- Level 6 2-pyrimidinylthiobenzoic acids
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Level 5
Benzoic acids
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Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
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
Diarylthioethers O-sulfanylbenzoic acids Thienopyrimidines 2,3,5-trisubstituted thiophenes Thiophenol ethers Benzoyl derivatives Pyrimidones Vinylogous thioesters Hydrazinosulfonyl compounds Sulfonohydrazides Heteroaromatic compounds Lactams Monocarboxylic acids and derivatives Sulfenyl compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds
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