Compound Identification
SMILES
CC1=CC=CC=C1N1C(S)=C(C#N)C(=O)NC11CCCCCC1
InChIKey
InChIKey=DVTLBENMKDIVRS-UHFFFAOYSA-N
Formula
C18H21N3OS
Mass
327.45
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
Hydropyrimidines Vinylogous amides Secondary carboxylic acid amides Lactams Ketene acetals Nitriles Azacyclic compounds Alkylthiols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Toluene - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Vinylogous amide - Carboxamide group - Ketene acetal or derivatives - Lactam - Secondary carboxylic acid amide - Alkylthiol - Carboxylic acid derivative - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Cyanide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Aromatic heteropolycyclic 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