Compound Identification
SMILES
[2H]C1=C([2H])C([2H])=C2N=C(NC2=C1[2H])S(=O)CC1=[N+]([O-])C=CC(OCC(F)(F)F)=C1C
InChIKey
InChIKey=OBGHBYDDJGHGNS-QFFDRWTDSA-N
Formula
C16H14F3N3O3S
Mass
389.39
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzimidazoles
- Subclass Sulfinylbenzimidazoles
-
Class
Benzimidazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzimidazoles
Subclass
Sulfinylbenzimidazoles
Intermediate Tree Nodes
Not available
Direct Parent
Sulfinylbenzimidazoles
Alternative Parents
Alkyl aryl ethers Methylpyridines Pyridinium derivatives Benzenoids Heteroaromatic compounds Imidazoles Sulfoxides Sulfinyl compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organofluorides Alkyl fluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Sulfinylbenzimidazole - Alkyl aryl ether - Methylpyridine - Pyridine - Pyridinium - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Sulfoxide - Azacycle - Sulfinyl compound - Ether - Organic zwitterion - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Organic nitrogen compound - Alkyl halide - Organic salt - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as sulfinylbenzimidazoles. These are polycyclic aromatic compounds containing a sulfinyl group attached at the position 2 of a benzimidazole moiety.
External Descriptors
Not available