3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[[3-(phenylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide

Systemtic Name: 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[[3-(phenylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide Openeye Name: 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[[3-(phenylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide CAS Name: N-[[3-[anilino(oxo)methyl]phenyl]methyl]-3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxamide IUPAC Name: 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[[3-(phenylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide Traditional Name: 3-cyano-6-cyclopropyl-2-(methylthio)-N-[3-(phenylcarbamoyl)benzyl]isonicotinamide Formula: C25H22N4O2S MolecularWeight: 442.53278

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=CC(=N1)C2CC2)C(=O)NCC3=CC=CC(=C3)C(=O)NC4=CC=CC=C4)C#N

Isomeric SMILES

CSC1=C(C(=CC(=N1)C2CC2)C(=O)NCC3=CC=CC(=C3)C(=O)NC4=CC=CC=C4)C#N

InChI

InChI=1S/C25H22N4O2S/c1-32-25-21(14-26)20(13-22(29-25)17-10-11-17)24(31)27-15-16-6-5-7-18(12-16)23(30)28-19-8-3-2-4-9-19/h2-9,12-13,17H,10-11,15H2,1H3,(H,27,31)(H,28,30)