Compound Identification
SMILES
CSC1=NC=C(SC)C(NC2=CC=C(C=C2)C#N)=N1
InChIKey
InChIKey=MDSGASYOBUBORZ-UHFFFAOYSA-N
Formula
C13H12N4S2
Mass
288.39
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 Aminopyrimidines and derivatives Alkylarylthioethers Imidolactams Heteroaromatic compounds Sulfenyl compounds Secondary amines Nitriles Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl thioether - Benzonitrile - Aniline or substituted anilines - Aminopyrimidine - Alkylarylthioether - Pyrimidine - Imidolactam - Heteroaromatic compound - Carbonitrile - Nitrile - Secondary amine - Thioether - Sulfenyl compound - Azacycle - Organoheterocyclic compound - Organosulfur compound - Hydrocarbon derivative - Organopnictogen compound - Amine - 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