Compound Identification
SMILES
[O-][N+]1=CC=CC=C1S(=O)C(C#N)C1=CC=C(F)C=C1
InChIKey
InChIKey=HFNYGTZCONSXPW-UHFFFAOYSA-N
Formula
C13H9FN2O2S
Mass
276.29
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzyl sulfoxides
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzyl sulfoxides
Intermediate Tree Nodes
Not available
Direct Parent
Benzyl sulfoxides
Alternative Parents
Fluorobenzenes Pyridinium derivatives Aryl fluorides Heteroaromatic compounds Sulfoxides Sulfinyl compounds Nitriles Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzyl sulfoxide - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Pyridine - Pyridinium - Heteroaromatic compound - Sulfoxide - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Sulfinyl compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzyl sulfoxides. These are organosulfur compounds that contain a sulfoxide group substituted by a benzyl group. They have the general structure RS(=O)R' ( R=benzyl, R'=organyl).
External Descriptors
Not available