Compound Identification
SMILES
O[N+]([O-])=O.ClC1=CC=C(CS(=O)C(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1
InChIKey
InChIKey=ZWIGBTMIQKQBRO-UHFFFAOYSA-N
Formula
C18H16Cl3N3O4S
Mass
476.75
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
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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 Organic nitrates Heteroaromatic compounds Sulfoxides Organic nitro compounds Organic nitric acids Sulfinyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzyl alkyl sulfoxide - 1,3-dichlorobenzene - Halobenzene - Chlorobenzene - N-substituted imidazole - Aryl halide - Aryl chloride - Heteroaromatic compound - Organic nitrate - Imidazole - Azole - Organic nitro compound - Sulfoxide - Organic nitric acid or derivatives - Organic nitric acid - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Sulfinyl compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen 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