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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
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
2-halobenzoic acids and derivatives Benzenesulfonamides Benzamides Benzenesulfonyl compounds Benzothiadiazoles Thiophenols Benzoyl derivatives Dialkylarylamines Aminopyridines and derivatives Chlorobenzenes Aryl chlorides Pyridinium derivatives Vinylogous halides Aminosulfonyl compounds Thiadiazoles Organosulfonic acids and derivatives Heteroaromatic compounds Amino acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organopnictogen compounds Organochlorides Organic oxides Thiols Hydrocarbon derivatives Organic cations
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