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(C1=CC=CC=C1)C2=O

InChIKey

InChIKey=NBNOPWBYFTZEGT-UHFFFAOYSA-N

Formula

C22H15N3O5S

Mass

433.44

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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 - Vinylogous thioester - Pyrimidine - Heteroaromatic compound - C-nitro compound - Lactam - Organic nitro compound - Carboxylic acid - Thioether - Azacycle - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur 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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