Compound Identification
SMILES
CC1=CC=C(S1)C1(CN=C(N1)C1=CC=CC(=C1)C#N)C1=CC=C(F)C=C1
InChIKey
InChIKey=JCHVFSPBKLLZCR-UHFFFAOYSA-N
Formula
C21H16FN3S
Mass
361.44
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
Fluorobenzenes 2,5-disubstituted thiophenes Imidolactams Aryl fluorides Imidazolines Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Nitriles Carboximidamides Carboxamidines Azacyclic compounds Organofluorides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - Fluorobenzene - Halobenzene - 2,5-disubstituted thiophene - Aryl fluoride - Aryl halide - Imidolactam - Heteroaromatic compound - 2-imidazoline - Thiophene - Amidine - Carboxylic acid amidine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carbonitrile - Nitrile - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Cyanide - Hydrocarbon derivative - Amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Organic nitrogen 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