Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=CNNC(=O)C2=NNC(=C2)C2=CC=CS2)C=C(Br)C1=O

InChIKey

InChIKey=WRGKHYZCOLZBIA-UHFFFAOYSA-N

Formula

C16H13BrN4O3S

Mass

421.27

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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

Pyrazole-5-carboxamide - P-quinomethane - Alpha-haloketone - Azole - Heteroaromatic compound - Pyrazole - Thiophene - Carboxylic acid hydrazide - Carboxylic acid derivative - Azacycle - Bromoalkene - Vinyl bromide - Vinyl halide - Organoheterocyclic compound - Haloalkene - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - 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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