Structure Information
Structure

Compound Identification

SMILES

[N-]=[N+]=NC1=CC(N=[N+]=[N-])=C(C#N)C(=C1)S(=O)CC1=CC=CC=C1

InChIKey

InChIKey=PTFALCAYNDPWCW-UHFFFAOYSA-N

Formula

C14H9N7OS

Mass

323.33

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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 homomonocyclic compounds

Substituents

Benzyl sulfoxide - Phenyl sulfoxide - Benzonitrile - Phenylazide - Azo compound - Azo imide - Sulfoxide - Carbonitrile - Nitrile - Sulfinyl compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Cyanide - Organic oxygen compound - Organic zwitterion - Organic salt - Aromatic homomonocyclic 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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