Compound Identification
SMILES
CN(C)C1=CC=CC=C1CS(=O)C1=NC=CN1C1=NC=C(C=C1)C#N
InChIKey
InChIKey=AZGZAJMBDVNLER-UHFFFAOYSA-N
Formula
C18H17N5OS
Mass
351.43
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
Dialkylarylamines Aniline and substituted anilines 3-pyridinecarbonitriles N-substituted imidazoles Heteroaromatic compounds Sulfoxides Sulfinyl compounds Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzyl sulfoxide - Tertiary aliphatic/aromatic amine - 3-pyridinecarbonitrile - Aniline or substituted anilines - Dialkylarylamine - N-substituted imidazole - Pyridine - Azole - Imidazole - Heteroaromatic compound - Sulfoxide - Tertiary amine - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Sulfinyl compound - Organosulfur compound - Organonitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Cyanide - 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