Compound Identification
SMILES
CSC1=C(C#N)C(N)=C(C#N)C(N)=C1N
InChIKey
InChIKey=CBPQHHTWWZCWQS-UHFFFAOYSA-N
Formula
C9H9N5S
Mass
219.27
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 Aniline and substituted anilines Alkylarylthioethers Sulfenyl compounds Nitriles Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzonitrile - Aryl thioether - Thiophenol ether - Aniline or substituted anilines - Alkylarylthioether - Carbonitrile - Nitrile - Thioether - Sulfenyl compound - Primary amine - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Cyanide - Amine - Hydrocarbon derivative - Aromatic homomonocyclic 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