Compound Identification
SMILES
CCOC(=O)C1=CN=CC(=C1)C1=CC(Cl)=C(SC2C[C@@H]3CC[C@H](C2)N3C)C=C1
InChIKey
InChIKey=YNRPWOXFCPVSKT-DFNIBXOVSA-N
Formula
C22H25ClN2O2S
Mass
416.96
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
Tropane alkaloids Pyridinecarboxylic acids Thiophenol ethers Alkylarylthioethers Chlorobenzenes Aryl chlorides Piperidines N-alkylpyrrolidines Heteroaromatic compounds Trialkylamines Amino acids and derivatives Carboxylic acid esters Sulfenyl compounds Azacyclic compounds Organooxygen compounds Organochlorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpyridine - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Tropane alkaloid - Aryl thioether - Thiophenol ether - Chlorobenzene - Halobenzene - Alkylarylthioether - N-alkylpyrrolidine - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Piperidine - Heteroaromatic compound - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Sulfenyl compound - Thioether - Carboxylic acid derivative - Organohalogen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur 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