Compound Identification
SMILES
COCCSC1=CC=CC=C1C(=O)NC1=NN=C(CC2=CC=C(OC)C=C2)S1
InChIKey
InChIKey=RTZRWXVCGJEKIS-UHFFFAOYSA-N
Formula
C20H21N3O3S2
Mass
415.53
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 Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds Thiophenol ethers Alkyl aryl ethers Alkylarylthioethers Vinylogous thioesters Heteroaromatic compounds Thiadiazoles Secondary carboxylic acid amides Dialkyl ethers Azacyclic compounds Sulfenyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-sulfanylbenzoic acid or derivatives - Benzamide - Phenol ether - Thiophenol ether - Methoxybenzene - Benzoyl - Phenoxy compound - Anisole - Aryl thioether - Alkyl aryl ether - Alkylarylthioether - Vinylogous thioester - Thiadiazole - Heteroaromatic compound - Azole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Sulfenyl compound - Thioether - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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