Structure Information
Structure

Compound Identification

SMILES

CN(C)C1=CC=[NH+]C=C1.[O-]\C(=C(/C#N)C1=NS(=O)(=O)C2=C(S1)C=C(Cl)C(=C2)C(=O)NC1C=CCC2=NSN=C12)C1=CC=C(Cl)C=C1

InChIKey

InChIKey=JKERCVHQZMEEDL-UNLLECTCSA-N

Formula

C30H23Cl2N7O4S3

Mass

712.64

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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

Not available

Substituents

2-halobenzoic acid or derivatives - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aryl thioether - Chlorobenzene - Halobenzene - Aminopyridine - Pyridine - Pyridinium - Aryl halide - Aryl chloride - Azole - Heteroaromatic compound - Organosulfonic acid or derivatives - Vinylogous halide - Thiadiazole - Organic sulfonic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Carbonitrile - Nitrile - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Amine - Organic oxide - Cyanide - Organic oxygen compound - Organic zwitterion - 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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