Compound Identification
SMILES
CCC1=CC=C(NC(SCC2=CC=CC=C2C)=C(C#N)C(N)=O)C=C1
InChIKey
InChIKey=PQUBVYQOEDCYHC-UHFFFAOYSA-N
Formula
C20H21N3OS
Mass
351.47
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Toluenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Not available
Direct Parent
Toluenes
Alternative Parents
Vinylogous thioesters Vinylogous amides Primary carboxylic acid amides Ketene acetals Sulfenyl compounds Nitriles Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Toluene - Vinylogous thioester - Vinylogous amide - Carboxamide group - Ketene acetal or derivatives - Primary carboxylic acid amide - Carboxylic acid derivative - Carbonitrile - Nitrile - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane group.
External Descriptors
Not available