Compound Identification
SMILES
N#CC1=CC(=CC=C1)C1=NCC(N1)(C1=CC=CS1)C1=CC=CC=C1
InChIKey
InChIKey=QLYHXMDPVWSTID-UHFFFAOYSA-N
Formula
C20H15N3S
Mass
329.42
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
Imidolactams Thiophenes Imidazolines Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Nitriles Carboximidamides Carboxamidines Azacyclic compounds Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - Imidolactam - 2-imidazoline - Thiophene - Heteroaromatic compound - Amidine - Carboxylic acid amidine - Carbonitrile - Nitrile - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Hydrocarbon derivative - Amine - Cyanide - Organic nitrogen compound - Organonitrogen 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