Structure Information
Structure

Compound Identification

SMILES

CCN(CC)C1=CC=CC=C1CS(=O)C1=NC2=C(CCC2)N1CC1=CC=CC=N1

InChIKey

InChIKey=YPHVYDHFJANTEX-UHFFFAOYSA-N

Formula

C23H28N4OS

Mass

408.56

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzyl sulfoxides

Intermediate Tree Nodes

Not available

Direct Parent

Benzyl sulfoxides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzyl sulfoxide - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - N-substituted imidazole - Pyridine - Azole - Imidazole - Heteroaromatic compound - Sulfoxide - Tertiary amine - Azacycle - Organoheterocyclic compound - Sulfinyl compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic heteropolycyclic 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

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