Compound Identification
SMILES
C[C@H](NC1=NC=NC(N)=C1C#N)C1=NC2=C(C=CC=C2S(C)(=O)=O)N1CC1=CC=C(F)C=C1
InChIKey
InChIKey=PFGSETCEYAPBNX-ZDUSSCGKSA-N
Formula
C22H20FN7O2S
Mass
465.51
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
Fluorobenzenes Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Aryl fluorides Sulfones Heteroaromatic compounds Nitriles Azacyclic compounds Primary amines Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - Aminopyrimidine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyrimidine - N-substituted imidazole - Azole - Heteroaromatic compound - Sulfonyl - Sulfone - Imidazole - Azacycle - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organosulfur compound - Primary amine - Amine - Hydrocarbon derivative - Organic oxide - Cyanide - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organofluoride - 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