Structure Information
Structure

Compound Identification

SMILES

COC1=CC(OC)=NC(SC2=C(C(O)=O)C(Br)=CC=C2)=N1

InChIKey

InChIKey=JZAAFTATFMWHFQ-UHFFFAOYSA-N

Formula

C13H11BrN2O4S

Mass

371.21

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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 heteromonocyclic compounds

Substituents

2-pyrimidinylthiobenzoic acid - Diarylthioether - O-sulfanylbenzoic acid - O-sulfanylbenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid - Halobenzoic acid - Benzoyl - Aryl thioether - Thiophenol ether - 1-carboxy-2-haloaromatic compound - Alkyl aryl ether - Bromobenzene - Halobenzene - Vinylogous thioester - Aryl halide - Aryl bromide - Pyrimidine - Heteroaromatic compound - Vinylogous halide - Azacycle - Sulfenyl compound - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Thioether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Aromatic heteromonocyclic 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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