Structure Information
Structure

Compound Identification

SMILES

CCCC1=NN=C(SCC2=CC=C(Br)C=C2)N1\N=C/C1=CC=CC=C1C(O)=O

InChIKey

InChIKey=KLDNCEHFMXJMJQ-UUYOSTAYSA-N

Formula

C20H19BrN4O2S

Mass

459.36

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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

Not available

Direct Parent

Benzoic acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzoic acid - Aryl thioether - Benzoyl - Bromobenzene - Alkylarylthioether - Halobenzene - Aryl bromide - Aryl halide - Azole - Heteroaromatic compound - 1,2,4-triazole - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.

External Descriptors

Not available

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