Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(\C=[NH+]\C2NC3=CC=CC=C3N2C([S-])=NC2=CC=CC=C2)C=C1
InChIKey
InChIKey=YFJUAWOXFMRANS-HYARGMPZSA-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
Nitrobenzenes Nitroaromatic compounds Secondary alkylarylamines Tertiary amines Shiff bases Isothioureas Orthocarboxylic acid derivatives Ortho amides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Primary aldimines Organic oxoazanium compounds Hydrocarbon derivatives Organic zwitterions Organic oxides Carbonyl compounds Organic salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - Nitrobenzene - Nitroaromatic compound - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Isothiourea - C-nitro compound - Organic nitro compound - Ortho amide - Orthocarboxylic acid derivative - Shiff base - Tertiary amine - Aldimine - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Primary aldimine - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Amine - Organosulfur compound - Organic salt - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic zwitterion - 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