Structure Information
Structure

Compound Identification

SMILES

CC1=CC2=C(C=C1)N=C(SC1=C(C=CC(=C1)[N+]([O-])=O)C(O)=O)N(CC1=CC=CC=C1)C2=O

InChIKey

InChIKey=XYVZQXCDNSZWBC-UHFFFAOYSA-N

Formula

C23H17N3O5S

Mass

447.47

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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 - Nitrobenzoate - Diarylthioether - Diazanaphthalene - O-sulfanylbenzoic acid - O-sulfanylbenzoic acid or derivatives - Quinazoline - Nitrobenzene - Benzoyl - Aryl thioether - Nitroaromatic compound - Thiophenol ether - Pyrimidone - Pyrimidine - Vinylogous thioester - Heteroaromatic compound - Organic nitro compound - Lactam - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Sulfenyl compound - Organoheterocyclic compound - Thioether - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic zwitterion - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - 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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