Compound Identification
SMILES
CC(=O)SC1=CC=C(C=C1)C#CC1=CN=C(N=C1)C#CC1=CC=CC=C1
InChIKey
InChIKey=UTHXFJLJTOPELP-UHFFFAOYSA-N
Formula
C22H14N2OS
Mass
354.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Thiophenol esters
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Thiophenol esters
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Thiophenol esters
Alternative Parents
Aryl thioethers Pyrimidines and pyrimidine derivatives Benzene and substituted derivatives Heteroaromatic compounds Thioesters Carbothioic S-esters Sulfenyl compounds Carboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Thiophenol ester - Aryl thioether - Monocyclic benzene moiety - Pyrimidine - Heteroaromatic compound - Carbothioic s-ester - Thiocarboxylic acid ester - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as thiophenol esters. These are thioester derivatives of thiophenols. Thiophenol is a phenol derivative obtained by replacing the oxygen atom from the hydroxyl group (attached to the benzene) by a sulfur atom.
External Descriptors
Not available