Compound Identification
SMILES
ClC1=CC=C(C=C1)C1=CN=C(C=C1)C#CC1=CC2=C(SC3=C2CCNCC3)C=C1
InChIKey
InChIKey=NBIIWMQTBDAWPQ-UHFFFAOYSA-N
Formula
C25H19ClN2S
Mass
414.95
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyridines and derivatives
- Subclass Phenylpyridines
-
Class
Pyridines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Phenylpyridines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyridines
Alternative Parents
1-benzothiophenes Chlorobenzenes Azepines Aralkylamines Aryl chlorides Thiophenes Heteroaromatic compounds Dialkylamines Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpyridine - 1-benzothiophene - Benzothiophene - Azepine - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiophene - Azacycle - Secondary aliphatic amine - Secondary amine - Organochloride - Organohalogen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
External Descriptors
Not available