Compound Identification
SMILES
N#CC1=CC=C(NC2=NN=CS2)C=C1
InChIKey
InChIKey=UKVUBCAVUDYALK-UHFFFAOYSA-N
Formula
C9H6N4S
Mass
202.24
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
Aniline and substituted anilines 2-amino-1,3,4-thiadiazoles Heteroaromatic compounds Secondary amines Nitriles Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - Aniline or substituted anilines - 2-amino-1,3,4-thiadiazole - Azole - Heteroaromatic compound - Thiadiazole - Carbonitrile - Nitrile - Secondary amine - Azacycle - Organoheterocyclic compound - Amine - Organic nitrogen compound - Organonitrogen compound - Cyanide - Hydrocarbon derivative - 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