Compound Identification
SMILES
CC1=CC=C(S1)C=NC1=CC=C(C=C1)C#N
InChIKey
InChIKey=MEXGSVSJAJWMRG-UHFFFAOYSA-N
Formula
C13H10N2S
Mass
226.3
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzonitriles
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzonitriles
Intermediate Tree Nodes
Not available
Direct Parent
Benzonitriles
Alternative Parents
2,5-disubstituted thiophenes Heteroaromatic compounds Shiff bases Propargyl-type 1,3-dipolar organic compounds Nitriles Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - 2,5-disubstituted thiophene - Thiophene - Heteroaromatic compound - Shiff base - Aldimine - Carbonitrile - Nitrile - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Cyanide - Hydrocarbon derivative - Imine - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
External Descriptors
Not available