Compound Identification
SMILES
CC1CCCN2C(C1)=C(C#N)C1=C2C(=S)N=CN1
InChIKey
InChIKey=JPPXMQQJNWXQPW-UHFFFAOYSA-N
Formula
C13H14N4S
Mass
258.34
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Pyrroloazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrroloazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrroloazepines
Alternative Parents
Pyrrolopyrimidines Pyrimidinethiones Azepines Substituted pyrroles Heteroaromatic compounds Nitriles Azacyclic compounds Organosulfur compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrroloazepine - Pyrrolopyrimidine - Azepine - Pyrimidinethione - Pyrimidine - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Carbonitrile - Nitrile - Azacycle - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrroloazepines. These are compounds containing a pyrroloazepine moiety, which is a bicyclic heterocycle which consists of a pyrrole ring fused to an azepine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Azepine is a 7-membered ring consisting of six carbon and one nitrogen atom.
External Descriptors
Not available