Compound Identification
SMILES
N[C@H](CO)C[C@@H](SC1=C(C=C(Cl)C=C1)C#N)C1=CN=CS1
InChIKey
InChIKey=KLEJNUKHFIABHF-WCQYABFASA-N
Formula
C14H14ClN3OS2
Mass
339.86
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 Thiazoles Heteroaromatic compounds 1,2-aminoalcohols Sulfenyl compounds Nitriles Azacyclic compounds Primary alcohols Organochlorides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl thioether - Benzonitrile - Thiophenol ether - Aralkylamine - Chlorobenzene - Alkylarylthioether - Halobenzene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Thiazole - 1,2-aminoalcohol - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Carbonitrile - Nitrile - Thioether - Organochloride - Organohalogen compound - Organic oxygen compound - Primary aliphatic amine - Amine - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary alcohol - Primary amine - Cyanide - 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