Compound Identification
SMILES
CC1(C)CCC2=C(C(C3=CC=C(S3)C#N)C3=C(CCS3)N2)C1=O
InChIKey
InChIKey=PAQBJNDKMBNTPZ-UHFFFAOYSA-N
Formula
C18H18N2OS2
Mass
342.48
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
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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 2,5-disubstituted thiophenes Vinylogous amides Heteroaromatic compounds Dihydrothiophenes Thioenol ethers Nitriles Enamines Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dihydropyridine - 2,5-disubstituted thiophene - Cyclohexenone - 2,3-dihydrothiophene - Thiophene - Vinylogous amide - Heteroaromatic compound - Thioenolether - Organoheterocyclic compound - Secondary aliphatic amine - Nitrile - Carbonitrile - Enamine - Azacycle - Cyanide - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - 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