3-cyano-6-cyclopropyl-2-methylsulfanyl-N-(2-quinolin-8-ylethyl)pyridine-4-carboxamide

Systemtic Name: 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-(2-quinolin-8-ylethyl)pyridine-4-carboxamide Openeye Name: 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[2-(8-quinolyl)ethyl]pyridine-4-carboxamide CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-N-[2-(8-quinolinyl)ethyl]-4-pyridinecarboxamide IUPAC Name: 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-(2-quinolin-8-ylethyl)pyridine-4-carboxamide Traditional Name: 3-cyano-6-cyclopropyl-2-(methylthio)-N-[2-(8-quinolyl)ethyl]isonicotinamide Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=CC(=N1)C2CC2)C(=O)NCCC3=CC=CC4=C3N=CC=C4)C#N

Isomeric SMILES

CSC1=C(C(=CC(=N1)C2CC2)C(=O)NCCC3=CC=CC4=C3N=CC=C4)C#N

InChI

InChI=1S/C22H20N4OS/c1-28-22-18(13-23)17(12-19(26-22)14-7-8-14)21(27)25-11-9-16-5-2-4-15-6-3-10-24-20(15)16/h2-6,10,12,14H,7-9,11H2,1H3,(H,25,27)