Compound Identification
SMILES
CC1=NOC(CSC2=CC=CC=C2C(=O)NC2=NC(=CS2)C2=CC=C(C)C=C2)=N1
InChIKey
InChIKey=ZBSFKSDPLHWQDO-UHFFFAOYSA-N
Formula
C21H18N4O2S2
Mass
422.52
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
O-sulfanylbenzoic acids and derivatives
Alternative Parents
Benzamides Thiophenol ethers Benzoyl derivatives Toluenes 2,4-disubstituted thiazoles Alkylarylthioethers Vinylogous thioesters 1,2,4-oxadiazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Oxacyclic compounds Sulfenyl compounds Organic oxides Organonitrogen compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-sulfanylbenzoic acid or derivatives - Benzamide - Aryl thioether - Benzoyl - Thiophenol ether - 2,4-disubstituted 1,3-thiazole - Alkylarylthioether - Toluene - Vinylogous thioester - 1,2,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-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 2, respectively.
External Descriptors
Not available