Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=C(SC2=NC3=C(C=C(Cl)C=C3)C(=O)N2CC2=CC=CC=C2)C=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=TZQWJPPDVZTHKU-UHFFFAOYSA-N

Formula

C22H14ClN3O5S

Mass

467.88

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