Compound Identification
SMILES
CC[NH+]1CNC(SCC2=CC=CC(=C2)C#N)=NC1
InChIKey
InChIKey=MZQOHXYCDZLQDT-UHFFFAOYSA-O
Formula
C13H17N4S
Mass
261.37
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
1,3,5-triazines Quaternary ammonium salts Isothioureas Sulfenyl compounds Nitriles Carboximidamides Azacyclic compounds Imines Hydrocarbon derivatives Amines Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - Triazine - 1,3,5-triazine - Quaternary ammonium salt - Isothiourea - Azacycle - Carbonitrile - Nitrile - Carboximidamide - Sulfenyl compound - Organoheterocyclic compound - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Amine - Imine - Cyanide - Hydrocarbon derivative - Organic cation - 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