Compound Identification
SMILES
CC1=NC(SCS(=O)CC2=CC=CC=C2)=C(C#N)C(C)=C1
InChIKey
InChIKey=LYWUHWKZVHVJJK-UHFFFAOYSA-N
Formula
C16H16N2OS2
Mass
316.44
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 Methylpyridines Alkylarylthioethers Heteroaromatic compounds Sulfoxides Sulfinyl compounds Sulfenyl compounds Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzyl alkyl sulfoxide - Aryl thioether - 3-pyridinecarbonitrile - Alkylarylthioether - Methylpyridine - Pyridine - Heteroaromatic compound - Sulfoxide - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Thioether - Sulfenyl compound - Sulfinyl compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - 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