Structure Information
Structure

Compound Identification

SMILES

CC1(C)CC(=O)C2=C(C1)N(C(N)=C(C#N)C2C1=CC(Br)=CS1)C1=NC=C(Br)C=C1

InChIKey

InChIKey=RDAFEBKNKDKUAJ-UHFFFAOYSA-N

Formula

C21H18Br2N4OS

Mass

534.27

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Ketones - Cyclic ketones

Direct Parent

Cyclohexenones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Dihydropyridine - Cyclohexenone - Aryl bromide - Aryl halide - Pyridine - Imidolactam - Heteroaromatic compound - Thiophene - Vinylogous amide - Ketene acetal or derivatives - Azacycle - Nitrile - Carbonitrile - Organoheterocyclic compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Organic oxide - Cyanide - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cyclohexenones. These are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond.

External Descriptors

Not available

Previous Back Next