Compound Identification
SMILES
NC1=C(C#N)C2(NC3=CC=CC=C3N2)NC(=S)N1
InChIKey
InChIKey=ZWKBHADRJUKWQT-UHFFFAOYSA-N
Formula
C11H10N6S
Mass
258.3
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzimidazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzimidazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzimidazoles
Alternative Parents
Pyrimidinethiones 2-Thiopyrimidines Hydropyrimidines Benzenoids Thioureas Orthocarboxylic acid derivatives Ortho amides Ketene acetals Nitriles Azacyclic compounds Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Pyrimidine - Benzenoid - Ketene acetal or derivatives - Ortho amide - Orthocarboxylic acid derivative - Thiourea - Nitrile - Carbonitrile - Azacycle - Organosulfur compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Cyanide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
External Descriptors
Not available