Compound Identification
SMILES
COC1(SC)C(C)C(C)C(C#N)(C#N)C1(C#N)C#N
InChIKey
InChIKey=PRYLAXWHNYELOF-UHFFFAOYSA-N
Formula
C13H14N4OS
Mass
274.34
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Monoterpenoids
- Level 5 Monocyclic monoterpenoids
-
Subclass
Monoterpenoids
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Monoterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Monocyclic monoterpenoids
Alternative Parents
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Monocyclic monoterpenoid - Monothioketal - Monothioacetal - Sulfenyl compound - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Cyanide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as monocyclic monoterpenoids. These are monoterpenoids containing 1 ring in the isoprene chain.
External Descriptors
Not available