Structure Information
Structure

Compound Identification

SMILES

CN(C)C1=CC=[N+](C=C1)C(NS(=O)(=O)C1=C(S)C=C(Cl)C(=C1)C(=O)NC1=CC=CC2=NSN=C12)=NS(=O)(=O)C1=CC=C(Cl)C=C1

InChIKey

InChIKey=GPDXBDSMPINAMI-UHFFFAOYSA-O

Formula

C27H22Cl2N7O5S4

Mass

723.66

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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

Sulfanylbenzoic acids and derivatives

Direct Parent

P-sulfanylbenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - P-sulfanylbenzoic acid or derivatives - Benzenesulfonamide - 2,1,3-benzothiadiazole - Benzamide - Benzenesulfonyl group - Dialkylarylamine - Benzoyl - Tertiary aliphatic/aromatic amine - Thiophenol - Halobenzene - Aminopyridine - Chlorobenzene - Pyridine - Aryl halide - Aryl chloride - Pyridinium - Thiadiazole - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Vinylogous halide - Heteroaromatic compound - Azole - Amino acid or derivatives - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Arylthiol - Organonitrogen compound - Amine - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organochloride - Organic nitrogen compound - Organohalogen compound - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as p-sulfanylbenzoic acids and derivatives. These are benzoic acids (or derivatives) which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 4, respectively.

External Descriptors

Not available

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