Compound Identification
SMILES
COC1=CC(=CC(OC)=C1OC)C1=C(C#N)C(N)=[NH+]C(SCC2=CC=NC=C2)=C1C#N
InChIKey
InChIKey=KUCLIJFLARCHBQ-UHFFFAOYSA-O
Formula
C22H20N5O3S
Mass
434.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Pyridines and derivatives
- Subclass Phenylpyridines
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Class
Pyridines and derivatives
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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
Phenoxy compounds Methoxybenzenes Anisoles 3-pyridinecarbonitriles Aminopyridines and derivatives Alkylarylthioethers Alkyl aryl ethers Pyridinium derivatives Heteroaromatic compounds Sulfenyl compounds Nitriles Azacyclic compounds Primary amines Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyridine - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Methoxybenzene - 3-pyridinecarbonitrile - Alkyl aryl ether - Aminopyridine - Alkylarylthioether - Monocyclic benzene moiety - Pyridinium - Benzenoid - Heteroaromatic compound - Sulfenyl compound - Thioether - Azacycle - Ether - Carbonitrile - Nitrile - Amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Primary amine - Organic nitrogen compound - Cyanide - 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