Compound Identification
SMILES
CNC[C@@H](SC1=C(C=CC(Cl)=C1)C#N)C1=CC=CC=C1
InChIKey
InChIKey=SBYWFJOMYWEISX-MRXNPFEDSA-N
Formula
C16H15ClN2S
Mass
302.82
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
Thiophenol ethers Chlorobenzenes Aralkylamines Alkylarylthioethers Aryl chlorides Sulfenyl compounds Nitriles Dialkylamines Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aryl thioether - Benzonitrile - Thiophenol ether - Aralkylamine - Alkylarylthioether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Sulfenyl compound - Secondary aliphatic amine - Thioether - Carbonitrile - Nitrile - Secondary amine - Cyanide - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organosulfur compound - Amine - 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