Compound Identification
SMILES
OC(CSC1=C(C#N)C(=CC(=N1)C1=CC=CS1)C(F)(F)F)CS(=O)CC1=CC=CC=C1
InChIKey
InChIKey=WTDHSKFUWXVDGD-UHFFFAOYSA-N
Formula
C21H17F3N2O2S3
Mass
482.55
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzyl sulfoxides
- Level 5 Benzyl alkyl sulfoxides
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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 alkyl sulfoxides
Alternative Parents
3-pyridinecarbonitriles Alkylarylthioethers Thiophenes Heteroaromatic compounds Sulfoxides Secondary alcohols Sulfinyl compounds Sulfenyl compounds Nitriles Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzyl alkyl sulfoxide - Aryl thioether - 3-pyridinecarbonitrile - Alkylarylthioether - Pyridine - Thiophene - Heteroaromatic compound - Secondary alcohol - Sulfoxide - Carbonitrile - Nitrile - Azacycle - Thioether - Sulfinyl compound - Sulfenyl compound - Organoheterocyclic compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Alcohol - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Cyanide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzyl alkyl sulfoxides. These are organosulfur compounds that contain a sulfoxide group substituted by a benzyl group, and an alkyl group. They have the general structure RS(=O)R' ( R=benzyl, R'=alkyl).
External Descriptors
Not available