Structure Information
Structure

Compound Identification

SMILES

COC1=CC(OC)=C(CS(=O)C2=C(C=CC=N2)C(=O)NC2=C(C)C(=NC=C2)N(C)C)C=C1

InChIKey

InChIKey=QOLUSIFRXWNBNI-UHFFFAOYSA-N

Formula

C23H26N4O4S

Mass

454.55

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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 - Dimethoxybenzene - M-dimethoxybenzene - Pyridine carboxylic acid or derivatives - Pyridinecarboxamide - Nicotinamide - Phenoxy compound - Dialkylarylamine - Anisole - Methoxybenzene - Phenol ether - Aminopyridine - Alkyl aryl ether - Methylpyridine - Imidolactam - Pyridine - Heteroaromatic compound - Carboxamide group - Sulfoxide - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Ether - Carboxylic acid derivative - Sulfinyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Amine - Organic oxygen compound - 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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