Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC=C1NC1=NC2=C(S1)C=C(NC(=O)C1=C(Cl)C=CC=C1Cl)C=C2

InChIKey

InChIKey=PAFWQWTXOBRCJN-UHFFFAOYSA-N

Formula

C21H15Cl2N3O2S

Mass

444.33

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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

2-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-halobenzoic acid or derivatives - Benzamide - 1,3-benzothiazole - Methoxyaniline - Anisole - Phenoxy compound - Benzoyl - 1,3-dichlorobenzene - Phenol ether - Aniline or substituted anilines - Methoxybenzene - Chlorobenzene - Alkyl aryl ether - Halobenzene - Aryl halide - 1,3-thiazol-2-amine - Aryl chloride - Heteroaromatic compound - Vinylogous halide - Azole - Thiazole - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Secondary amine - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Amine - Organic nitrogen compound - Organohalogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.

External Descriptors

Not available

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