Compound Identification
SMILES
C[C@@H](SC1=NN=C(O1)C1=CC=C(C)C=C1)C(=O)C(C#N)=C1NC2=CC=CC=C2N1
InChIKey
InChIKey=OOCXJGAZRGXBIC-CYBMUJFWSA-N
Formula
C21H17N5O2S
Mass
403.46
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
Toluenes Alkylarylthioethers Vinylogous amides 1,3,4-oxadiazoles Acryloyl compounds Enones Heteroaromatic compounds Ketones Ketene acetals Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Nitriles Organic oxides Amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - Aryl thioether - Toluene - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - 1,3,4-oxadiazole - Acryloyl-group - Azole - Enone - Oxadiazole - Vinylogous amide - Heteroaromatic compound - Ketene acetal or derivatives - Ketone - Oxacycle - Thioether - Azacycle - Sulfenyl compound - Nitrile - Carbonitrile - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Amine - 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