Structure Information
Structure

Compound Identification

SMILES

CCN1C(SCC2=CC=C(Cl)C=C2)=NN=C1C(NC(=O)C1=C(Cl)C=C(Cl)C=C1)C(C)C

InChIKey

InChIKey=WVQODUOOUZOIFD-UHFFFAOYSA-N

Formula

C22H23Cl3N4OS

Mass

497.86

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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

Halobenzoic acids and derivatives

Direct Parent

4-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

4-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - Aryl thioether - Benzoyl - 1,3-dichlorobenzene - Chlorobenzene - Alkylarylthioether - Halobenzene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Vinylogous halide - 1,2,4-triazole - Carboxamide group - Secondary carboxylic acid amide - Thioether - Sulfenyl compound - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.

External Descriptors

Not available

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