Compound Identification
SMILES
CSC1=C(C=C(S1)C(N)=N)S(=O)(=O)C1=CC(Br)=C2N=CN(CC3=C(F)C(=CC=C3)[N+]([O-])=O)C2=C1
InChIKey
InChIKey=GBQCPCYAIVPRFX-UHFFFAOYSA-N
Formula
C20H15BrFN5O4S3
Mass
584.45
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 2,3,5-trisubstituted thiophenes Nitroaromatic compounds Alkylarylthioethers Fluorobenzenes Aryl bromides Aryl fluorides N-substituted imidazoles Sulfones Heteroaromatic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxamidines Carboximidamides Organic oxoazanium compounds Organofluorides Organic salts Organobromides Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - Nitrobenzene - Aryl thioether - Nitroaromatic compound - 2,3,5-trisubstituted thiophene - Fluorobenzene - Halobenzene - Alkylarylthioether - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Sulfone - Sulfonyl - Thiophene - C-nitro compound - Organic nitro compound - Thioether - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Amidine - Carboxylic acid amidine - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organohalogen compound - Organobromide - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Organosulfur compound - Organic cation - 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