Compound Identification
SMILES
CC1=NN(CC2=CC=C(C=C2)[S@@](=O)CC2=CC(Cl)=C(Cl)C=C2)C(C)=C1CC=O
InChIKey
InChIKey=FMVXGECZPPODHK-NDEPHWFRSA-N
Formula
C21H20Cl2N2O2S
Mass
435.36
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
Phenyl sulfoxides Dichlorobenzenes Aryl chlorides Pyrazoles Heteroaromatic compounds Alpha-hydrogen aldehydes Sulfoxides Sulfinyl compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzyl sulfoxide - Phenyl sulfoxide - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Alpha-hydrogen aldehyde - Azole - Heteroaromatic compound - Pyrazole - Sulfoxide - Azacycle - Organoheterocyclic compound - Sulfinyl compound - Aldehyde - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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