Compound Identification
SMILES
CC1=CC=C(C=C1)[C@@H]1[C@@H]2CSCC=C2C(C#N)=C(N)C1(C#N)C#N
InChIKey
InChIKey=WGMBQYIBNHRLRP-IAGOWNOFSA-N
Formula
C19H16N4S
Mass
332.43
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
Thiopyrans Nitriles Enamines Dialkylthioethers Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Toluene - Thiopyran - Enamine - Carbonitrile - Nitrile - Thioether - Dialkylthioether - Organoheterocyclic compound - Primary amine - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Amine - Hydrocarbon derivative - 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