Compound Identification
SMILES
CCOc1ccc(c(NCCSc2nc3ccccc3[nH]2)n1)[N+]([O-])=O
InChIKey
InChIKey=UNOQUCDJSWUSOB-UHFFFAOYSA-N
Formula
C16H17N5O3S
Mass
359.4
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
Nitroaromatic compounds Alkyl aryl ethers Alkylarylthioethers Aminopyridines and derivatives Benzenoids Imidolactams Heteroaromatic compounds Imidazoles Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic zwitterions Amines Organic salts Hydrocarbon derivatives Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - Aryl thioether - Nitroaromatic compound - Alkyl aryl ether - Aminopyridine - Alkylarylthioether - Pyridine - Benzenoid - Imidolactam - Azole - Imidazole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Ether - Sulfenyl compound - Thioether - Azacycle - Organic oxoazanium - Organic salt - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic zwitterion - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - 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