2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-2-yl-butanamide

Systemtic Name: 2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-2-yl-butanamide Openeye Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(2-naphthyl)butanamide CAS Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]-N-(2-naphthalenyl)butanamide IUPAC Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-2-ylbutanamide Traditional Name: 2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]-N-(2-naphthyl)butyramide Formula: C25H20N4O2S MolecularWeight: 440.5169

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=CC=CC=C2C=C1)SC3=NC(=O)C(=C(N3)C4=CC=CC=C4)C#N

Isomeric SMILES

CCC(C(=O)NC1=CC2=CC=CC=C2C=C1)SC3=NC(=O)C(=C(N3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C25H20N4O2S/c1-2-21(24(31)27-19-13-12-16-8-6-7-11-18(16)14-19)32-25-28-22(17-9-4-3-5-10-17)20(15-26)23(30)29-25/h3-14,21H,2H2,1H3,(H,27,31)(H,28,29,30)