Compound Identification
SMILES
[O-][N+](=O)C1=CC2=C(NC(=S)N2\C=C(\C2=CC=CC=C2)S(=O)CC2=CC=CC=C2)C=C1
InChIKey
InChIKey=FKEOUYLTWWQQQK-STZFKDTASA-N
Formula
C22H17N3O3S2
Mass
435.52
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
Benzimidazoles Styrenes Nitroaromatic compounds Imidazolethiones N-substituted imidazoles Heteroaromatic compounds Thioureas Sulfoxides Azacyclic compounds Sulfinyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzyl alkyl sulfoxide - Benzimidazole - Nitroaromatic compound - Styrene - Imidazole-2-thione - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Sulfoxide - Thiourea - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfinyl compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic oxygen compound - Organosulfur compound - Organic salt - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organic nitrogen compound - Aromatic heteropolycyclic 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