Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(N(C=N1)C1=NC(C)=C(Cl)S1)S(=O)CC1=CC=CC=C1

InChIKey

InChIKey=OLLOQUYFGCCIDS-UHFFFAOYSA-N

Formula

C17H16ClN3O3S2

Mass

409.9

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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 - 2,4,5-trisubstituted 1,3-thiazole - Imidazole-4-carbonyl group - Aryl chloride - Aryl halide - N-substituted imidazole - Azole - Heteroaromatic compound - Vinylogous amide - Imidazole - Thiazole - Carboxylic acid ester - Sulfoxide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Sulfinyl compound - Organosulfur compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen 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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