Compound Identification
SMILES
O=C1C(SC(C1C#N)C1=CC=CC=C1)C1=NC2=CC=CC=C2N1
InChIKey
InChIKey=ZZSIAPFVWAHSQZ-UHFFFAOYSA-N
Formula
C18H13N3OS
Mass
319.38
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
Benzene and substituted derivatives Thiolanes Imidazoles Heteroaromatic compounds Cyclic ketones Nitriles Dialkylthioethers Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - Monocyclic benzene moiety - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Thiolane - Ketone - Cyclic ketone - Carbonitrile - Nitrile - Thioether - Azacycle - Dialkylthioether - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Cyanide - Carbonyl group - 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