Compound Identification
SMILES
CC12SCCN1[C@@H]1CCC([C@H]2O1)=C(C#N)C#N
InChIKey
InChIKey=NJDAWYRHZVYPKT-WIKAKEFZSA-N
Formula
C12H13N3OS
Mass
247.32
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Azepanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azepanes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Azepanes
Alternative Parents
Oxanes Thiazolidines Oxazolidines Hemiaminals Thiohemiaminal derivatives Oxacyclic compounds Nitriles Dialkylthioethers Azacyclic compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Azepane - Oxane - Oxazolidine - Thiazolidine - Hemiaminal - Carbonitrile - Nitrile - Thioether - Hemithioaminal - Dialkylthioether - Azacycle - Oxacycle - Organopnictogen compound - Organooxygen compound - Cyanide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Amine - Organonitrogen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as azepanes. These are organic compounds containing a saturated seven member heterocycle, with one nitrogen atom.
External Descriptors
Not available