Compound Identification
SMILES
NC(=O)CSC1=CC=CC=C1C(=O)OCC1=NC=CN1CC1=CC=CC=C1
InChIKey
InChIKey=ZKLKIFGHIASUCC-UHFFFAOYSA-N
Formula
C20H19N3O3S
Mass
381.45
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
Benzoic acid esters Thiophenol ethers Benzoyl derivatives Alkylarylthioethers Vinylogous thioesters N-substituted imidazoles Heteroaromatic compounds Primary carboxylic acid amides Carboxylic acid esters Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - O-sulfanylbenzoic acid or derivatives - Aryl thioether - Benzoyl - Thiophenol ether - Alkylarylthioether - Vinylogous thioester - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Primary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Thioether - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen 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