Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC=C1C=C1SC(=S)N(NC(=O)C2=CC(Cl)=CC=C2)C1=O

InChIKey

InChIKey=BASIDCBKTLMICS-UHFFFAOYSA-N

Formula

C18H13ClN2O3S2

Mass

404.88

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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

3-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

3-halobenzoic acid or derivatives - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Thiazolidinethione - Thiazolidine - Carboxylic acid hydrazide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Organic oxide - Organosulfur compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.

External Descriptors

Not available

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