Compound Identification
SMILES
COCCSC1=CC=CC=C1C(=O)NC1=NN=C(CC2=CC=CC=C2)S1
InChIKey
InChIKey=GTWBQXHYLJRKIL-UHFFFAOYSA-N
Formula
C19H19N3O2S2
Mass
385.5
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 Alkylarylthioethers Vinylogous thioesters Thiadiazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-sulfanylbenzoic acid or derivatives - Benzamide - Aryl thioether - Benzoyl - Thiophenol ether - Alkylarylthioether - Vinylogous thioester - Azole - Thiadiazole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Thioether - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Azacycle - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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