Structure Information
Structure

Compound Identification

SMILES

ClC1=CC=C(COC2=NN=C(N3C=CN=C23)S(=O)CC2=CC=C(Cl)C=C2)C=C1

InChIKey

InChIKey=VLYCDXJZJNETTQ-UHFFFAOYSA-N

Formula

C19H14Cl2N4O2S

Mass

433.31

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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 heteropolycyclic compounds

Substituents

Benzyl sulfoxide - Imidazo[1,2-d][1,2,4]triazine - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - N-substituted imidazole - 1,2,4-triazine - Triazine - Azole - Heteroaromatic compound - Imidazole - Sulfoxide - Azacycle - Ether - Organoheterocyclic compound - Sulfinyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic 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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