Compound Identification
SMILES
CCOC(=O)C1=C(CSC2=C(C=CC(=N2)C2=CC=CC=C2)C#N)OC(N)=C(C#N)C1C1=CC=CC=C1F
InChIKey
InChIKey=XWAIAAVUIKMLID-UHFFFAOYSA-N
Formula
C28H21FN4O3S
Mass
512.56
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
3-pyridinecarbonitriles Alkylarylthioethers Fluorobenzenes Pyrans Aryl fluorides Vinylogous esters Heteroaromatic compounds Enoate esters Ketene acetals Sulfenyl compounds Oxacyclic compounds Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyridine - Aryl thioether - 3-pyridinecarbonitrile - Fluorobenzene - Halobenzene - Alkylarylthioether - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Enoate ester - Vinylogous ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Ketene acetal or derivatives - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Oxacycle - Thioether - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Cyanide - 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