Structure Information
Structure

Compound Identification

SMILES

COC1=C\C(=C\NNC2=NC(C)=CS2)C=C(Br)C1=O

InChIKey

InChIKey=HTSFUIDQWYYNRH-VMPITWQZSA-N

Formula

C12H12BrN3O2S

Mass

342.21

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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

P-quinomethanes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

P-quinomethane - 2,4-disubstituted 1,3-thiazole - Alpha-haloketone - Azole - Heteroaromatic compound - Thiazole - Azacycle - Vinyl bromide - Vinyl halide - Organoheterocyclic compound - Haloalkene - Bromoalkene - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrazine derivative - Organohalogen compound - Organobromide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as p-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 4, respectively.

External Descriptors

Not available

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