3-cyano-6-cyclopropyl-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-methylsulfanyl-pyridine-4-carboxamide

Systemtic Name: 3-cyano-6-cyclopropyl-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-methylsulfanyl-pyridine-4-carboxamide Openeye Name: 3-cyano-6-cyclopropyl-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-methylsulfanyl-pyridine-4-carboxamide CAS Name: 3-cyano-6-cyclopropyl-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(methylthio)-4-pyridinecarboxamide IUPAC Name: 3-cyano-6-cyclopropyl-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-methylsulfanylpyridine-4-carboxamide Traditional Name: 3-cyano-6-cyclopropyl-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(methylthio)isonicotinamide Formula: C21H23FN4OS MolecularWeight: 398.496923

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1=CC(=NC(=C1C#N)SC)C2CC2)C3=CC(=CC=C3)F

Isomeric SMILES

CN(C)C(CNC(=O)C1=CC(=NC(=C1C#N)SC)C2CC2)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H23FN4OS/c1-26(2)19(14-5-4-6-15(22)9-14)12-24-20(27)16-10-18(13-7-8-13)25-21(28-3)17(16)11-23/h4-6,9-10,13,19H,7-8,12H2,1-3H3,(H,24,27)