Compound Identification
SMILES
CCOC1=NC2=C(C3=C(S2)C(OC)=NN=N3)C(C2=CC=CC=C2)=C1C#N
InChIKey
InChIKey=MBQFBKFEXOEONQ-UHFFFAOYSA-N
Formula
C18H13N5O2S
Mass
363.4
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
-
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
Thienopyridines 4-methoxy-1,2,3-triazines Alkyl aryl ethers Benzene and substituted derivatives Thiophenes Heteroaromatic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyridine - Thienopyridine - 4-methoxy-1,2,3-triazine - Alkyl aryl ether - Monocyclic benzene moiety - Triazine - Benzenoid - 1,2,3-triazine - Thiophene - Heteroaromatic compound - Nitrile - Carbonitrile - Ether - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - Organooxygen compound - Organonitrogen compound - Organic oxygen 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