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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Cyclic ketones
- Level 7 Cyclohexenones
-
Level 6
Cyclic ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Cyclic ketones
Direct Parent
Cyclohexenones
Alternative Parents
Dihydropyridines Imidolactams Aryl bromides Vinylogous amides Thiophenes Heteroaromatic compounds Ketene acetals Nitriles Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Amines
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