Compound Identification
SMILES
CC1=C(N2C3=CC=CC=C3N(CC3=CC=CC=C3)C2=N1)C(=O)NN=CC1=CC=C(S1)[N+]([O-])=O
InChIKey
InChIKey=XYHCHNCYOQBRDM-UHFFFAOYSA-N
Formula
C23H18N6O3S
Mass
458.5
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
2-nitrothiophenes Nitroaromatic compounds 2,5-disubstituted thiophenes Carbonylimidazoles Benzene and substituted derivatives N-substituted imidazoles Heteroaromatic compounds Carboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Organic zwitterions Organooxygen compounds Hydrocarbon derivatives Organonitrogen compounds Organic salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - 2-nitrothiophene - Nitrothiophene - Nitroaromatic compound - Imidazole-4-carbonyl group - 2,5-disubstituted thiophene - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Heteroaromatic compound - Imidazole - Thiophene - Azole - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Organic oxoazanium - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic zwitterion - Organic oxygen compound - Organic nitrogen compound - Organic salt - 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