Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(NC(=O)CSC2=NN=C(NC(=O)C3=CC(Cl)=CC(Cl)=C3)S2)C=C1

InChIKey

InChIKey=QRXFZSYVQVQGHI-UHFFFAOYSA-N

Formula

C18H14Cl2N4O3S2

Mass

469.36

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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

Halobenzoic acids and derivatives

Direct Parent

3-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

3-halobenzoic acid or derivatives - Benzamide - Anilide - Methoxyaniline - Anisole - Benzoyl - 1,3-dichlorobenzene - Phenol ether - Phenoxy compound - N-arylamide - Aryl thioether - Methoxybenzene - Alkylarylthioether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Azole - Heteroaromatic compound - Thiadiazole - Carboxamide group - Secondary carboxylic acid amide - Sulfenyl compound - Azacycle - Thioether - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organosulfur 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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