Compound Identification
SMILES
COP(=O)(OC)C1=C(N)[N+](C2=CC=C(Br)C=C2)=C(C2=CC=CC=C2)C(C#N)=C1SC
InChIKey
InChIKey=ALMGSPJRLKBNAR-UHFFFAOYSA-O
Formula
C21H20BrN3O3PS
Mass
505.35
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyridines and derivatives
- Subclass Phenylpyridines
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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
3-pyridinecarbonitriles Phosphonic acid diesters Alkylarylthioethers Aminopyridines and derivatives Bromobenzenes Pyridinium derivatives Phosphonic acid esters Aryl bromides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Nitriles Primary amines Hydrocarbon derivatives Organic oxides Organobromides Organooxygen compounds Organophosphorus compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyridine - Aryl thioether - 3-pyridinecarbonitrile - Aminopyridine - Bromobenzene - Halobenzene - Alkylarylthioether - Phosphonic acid diester - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Phosphonic acid ester - Pyridinium - Benzenoid - Heteroaromatic compound - Organophosphonic acid derivative - Azacycle - Thioether - Sulfenyl compound - Carbonitrile - Nitrile - Organooxygen compound - Organonitrogen compound - Organobromide - Organic nitrogen compound - Organohalogen compound - Cyanide - Organic oxygen compound - Hydrocarbon derivative - Organophosphorus compound - Organosulfur compound - Organic oxide - Amine - Primary amine - Organic cation - Aromatic heteromonocyclic 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