Compound Identification
SMILES
CC1=C(SC=C1)C1C(C#N)=C(N)SC2=C1C(=O)CC(C)(C)C2
InChIKey
InChIKey=QPQOQJCHCVXYET-UHFFFAOYSA-N
Formula
C17H18N2OS2
Mass
330.46
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
Vinylogous thioesters Thiopyrans Thiophenes Heteroaromatic compounds Thioenol ethers Ketene acetals Nitriles Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cyclohexenone - Thiopyran - Vinylogous thioester - Thiophene - Heteroaromatic compound - Ketene acetal or derivatives - Thioenolether - Carbonitrile - Nitrile - Organoheterocyclic compound - Cyanide - Organonitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - 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