Compound Identification
SMILES
ClC1=CC=C(CS(=O)C(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1
InChIKey
InChIKey=GGLXOBRBVWGRHW-UHFFFAOYSA-N
Formula
C18H15Cl3N2OS
Mass
413.74
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
Dichlorobenzenes N-substituted imidazoles Aryl chlorides Heteroaromatic compounds Sulfoxides Sulfinyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzyl alkyl sulfoxide - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Sulfoxide - Azacycle - Organoheterocyclic compound - Sulfinyl compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - 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