Compound Identification
SMILES
CC1=CC=C(C=NC2=C(C=CS2)C#N)C=C1
InChIKey
InChIKey=PLMNWSRRLPBNNI-UHFFFAOYSA-N
Formula
C13H10N2S
Mass
226.3
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
Thiophenes Heteroaromatic compounds Shiff bases Propargyl-type 1,3-dipolar organic compounds Nitriles Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Toluene - Thiophene - Heteroaromatic compound - Shiff base - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Aldimine - Nitrile - Carbonitrile - Organic nitrogen compound - Organonitrogen compound - Imine - Hydrocarbon derivative - Cyanide - Aromatic heteromonocyclic 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