Structure Information
Structure

Compound Identification

SMILES

BrC1=CC(=CNC2=NC(=CS2)C2=CC=CC=C2)C(=O)C=C1

InChIKey

InChIKey=BXPYZROMCNIXLI-UHFFFAOYSA-N

Formula

C16H11BrN2OS

Mass

359.24

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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 heteromonocyclic compounds

Substituents

O-quinomethane - 2,4-disubstituted 1,3-thiazole - Monocyclic benzene moiety - Benzenoid - 1,3-thiazol-2-amine - Heteroaromatic compound - Vinylogous amide - Thiazole - Azole - Bromoalkene - Haloalkene - Organoheterocyclic compound - Azacycle - Vinyl halide - Vinyl bromide - Enamine - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organobromide - Organic nitrogen compound - Organonitrogen compound - Amine - Aromatic heteromonocyclic 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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