Structure Information
Structure

Compound Identification

SMILES

ClC1=CC=C(SC(=O)C2=NN=C(CO2)C2=CC=C(Br)C=C2)C=C1

InChIKey

InChIKey=KYFDAWKJMGPGRL-UHFFFAOYSA-N

Formula

C16H10BrClN2O2S

Mass

409.68

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Thiophenol esters

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Thiophenol esters

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Thiophenol ester - Aryl thioether - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - 1,3,4-oxadiazine - Oxadiazine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Carbothioic s-ester - Thiocarboxylic acid ester - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Thiocarboxylic acid or derivatives - Sulfenyl compound - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as thiophenol esters. These are thioester derivatives of thiophenols. Thiophenol is a phenol derivative obtained by replacing the oxygen atom from the hydroxyl group (attached to the benzene) by a sulfur atom.

External Descriptors

Not available

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