Compound Identification
SMILES
[Na+].CC1=C(OCC(F)(F)F)C=CN=C1CS(=O)C1=NC2=CC=CC=C2[N-]1
InChIKey
InChIKey=OTGPYEHFRKGRIZ-UHFFFAOYSA-N
Formula
C16H13F3N3NaO2S
Mass
391.34
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzimidazoles
- Subclass Sulfinylbenzimidazoles
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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 Benzenoids Heteroaromatic compounds Imidazoles Sulfoxides Sulfinyl compounds Azacyclic compounds Organic metal halides Organic zwitterions Hydrocarbon derivatives Organofluorides Organonitrogen compounds Organic sodium salts Alkyl fluorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Sulfinylbenzimidazole - Alkyl aryl ether - Methylpyridine - Pyridine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Sulfoxide - Ether - Organic metal halide - Azacycle - Sulfinyl compound - Organic alkali metal salt - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Organic salt - Organic sodium 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