Structure Information
Structure

Compound Identification

SMILES

FC(F)(F)OC1=CC=C(\C=C\C2=NC(COC3=CC=C(CS(=O)CCN4C=CN=N4)C=C3)=CO2)C=C1

InChIKey

InChIKey=LPXCQTJELNCULE-BJMVGYQFSA-N

Formula

C24H21F3N4O4S

Mass

518.51

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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 alkyl sulfoxides

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzyl alkyl sulfoxide - Phenoxy compound - Styrene - Phenol ether - 2,4-disubstituted 1,3-oxazole - Alkyl aryl ether - Azole - 1,2,3-triazole - Heteroaromatic compound - Oxazole - Sulfoxide - Trihalomethane - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Sulfinyl compound - Organic nitrogen compound - Hydrocarbon derivative - Halomethane - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organopnictogen compound - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Aromatic heteromonocyclic 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

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