Compound Identification
SMILES
CC1(C)CC(=O)C2=C(C1)NC(S)=C(C#N)C2C1=CC=CS1
InChIKey
InChIKey=AKJIBQIWSOMKBZ-UHFFFAOYSA-N
Formula
C16H16N2OS2
Mass
316.44
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 Vinylogous amides Thiophenes Heteroaromatic compounds Ketene acetals Nitriles Azacyclic compounds Alkylthiols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dihydropyridine - Cyclohexenone - Thiophene - Vinylogous amide - Heteroaromatic compound - Ketene acetal or derivatives - Alkylthiol - Carbonitrile - Nitrile - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organic nitrogen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Cyanide - 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