Structure Information
Structure

Compound Identification

SMILES

O=S(CC1=CC=CC=C1NC1CCCC1)C1=NC2=C(N1)C=CC=N2

InChIKey

InChIKey=CCQIYMPYEZFRDY-UHFFFAOYSA-N

Formula

C18H20N4OS

Mass

340.45

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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 - Imidazopyridine - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Pyridine - Azole - Imidazole - Heteroaromatic compound - Sulfoxide - Azacycle - Secondary amine - Organoheterocyclic compound - Sulfinyl compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organic oxide - Amine - Organic nitrogen compound - Organic oxygen 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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