Structure Information
Structure

Compound Identification

SMILES

CN(C)C1=CC=CC=C1CS(=O)C1=NC=CN1C1=NC=C(C=C1)C#N

InChIKey

InChIKey=AZGZAJMBDVNLER-UHFFFAOYSA-N

Formula

C18H17N5OS

Mass

351.43

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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 heteromonocyclic compounds

Substituents

Benzyl sulfoxide - Tertiary aliphatic/aromatic amine - 3-pyridinecarbonitrile - Aniline or substituted anilines - Dialkylarylamine - N-substituted imidazole - Pyridine - Azole - Imidazole - Heteroaromatic compound - Sulfoxide - Tertiary amine - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Sulfinyl compound - Organosulfur compound - Organonitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Cyanide - 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

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