Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=CC=C(NC2=NC(=C(S2)C2=CC=NC=C2)C2=CC(Cl)=C(Cl)C=C2)C=C1

InChIKey

InChIKey=VQHYUCOVGWMOCC-UHFFFAOYSA-N

Formula

C21H13Cl2N3O2S

Mass

442.31

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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 - 2,4,5-trisubstituted 1,3-thiazole - Benzoyl - 1,2-dichlorobenzene - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - 1,3-thiazol-2-amine - Pyridine - Heteroaromatic compound - Azole - Thiazole - Amino acid - Amino acid or derivatives - Secondary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organonitrogen compound - Amine - Organic nitrogen compound - Organic oxide - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organochloride - 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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