Structure Information
Structure

Compound Identification

SMILES

O[N+]([O-])=O.ClC1=CC=C(CS(=O)C(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1

InChIKey

InChIKey=ZWIGBTMIQKQBRO-UHFFFAOYSA-N

Formula

C18H16Cl3N3O4S

Mass

476.75

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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 - 1,3-dichlorobenzene - Halobenzene - Chlorobenzene - N-substituted imidazole - Aryl halide - Aryl chloride - Heteroaromatic compound - Organic nitrate - Imidazole - Azole - Organic nitro compound - Sulfoxide - Organic nitric acid or derivatives - Organic nitric acid - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Sulfinyl compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen 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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