Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=O)\C(C=C1)=C(\C)NNC(=O)CSC1=C(C)C=C(Br)C(C)=C1

InChIKey

InChIKey=HQXAGGHYZPQIDK-SQFISAMPSA-N

Formula

C19H21BrN2O3S

Mass

437.35

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Ketones - Cyclic ketones - Quinomethanes

Direct Parent

O-quinomethanes

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Aryl thioether - P-xylene - Xylene - Thiophenol ether - O-quinomethane - Alkylarylthioether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous ester - Vinylogous amide - Carboxylic acid hydrazide - Thioether - Carboxylic acid derivative - Sulfenyl compound - Organobromide - Organohalogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as o-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 2, respectively.

External Descriptors

Not available

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