Compound Identification
SMILES
OCC1=CNC(=S)N1CC1=CC=C(C=C1)C#N
InChIKey
InChIKey=QNFNGGLSMUDJKN-UHFFFAOYSA-N
Formula
C12H11N3OS
Mass
245.3
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
N-substituted imidazoles Imidazolethiones Heteroaromatic compounds Thioureas Nitriles Azacyclic compounds Primary alcohols Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - Imidazole-2-thione - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Thiourea - Azacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Cyanide - Organosulfur compound - Primary alcohol - Organic oxygen compound - Aromatic alcohol - 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