Compound Identification
SMILES
CC1=C(N=C=S)C(Cl)=CC(=C1)C#N
InChIKey
InChIKey=ZDDKZPIMXYFPRE-UHFFFAOYSA-N
Formula
C9H5ClN2S
Mass
208.66
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzonitriles
-
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
Toluenes Chlorobenzenes Aryl chlorides Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Nitriles Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzonitrile - Chlorobenzene - Halobenzene - Toluene - Aryl halide - Aryl chloride - Isothiocyanate - Propargyl-type 1,3-dipolar organic compound - Nitrile - Carbonitrile - Organic 1,3-dipolar compound - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - Aromatic homomonocyclic 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