2-(5-methyl-4-oxidanylidene-2-phenacylsulfanyl-1H-pyrimidin-6-yl)-2-naphthalen-1-yl-ethanenitrile

Systemtic Name: 2-(5-methyl-4-oxidanylidene-2-phenacylsulfanyl-1H-pyrimidin-6-yl)-2-naphthalen-1-yl-ethanenitrile Openeye Name: 2-(5-methyl-4-oxo-2-phenacylsulfanyl-1H-pyrimidin-6-yl)-2-(1-naphthyl)acetonitrile CAS Name: 2-[5-methyl-4-oxo-2-(phenacylthio)-1H-pyrimidin-6-yl]-2-(1-naphthalenyl)acetonitrile IUPAC Name: 2-(5-methyl-4-oxo-2-phenacylsulfanyl-1H-pyrimidin-6-yl)-2-naphthalen-1-ylacetonitrile Traditional Name: 2-[4-keto-5-methyl-2-(phenacylthio)-1H-pyrimidin-6-yl]-2-(1-naphthyl)acetonitrile Formula: C25H19N3O2S MolecularWeight: 425.50226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SCC(=O)C2=CC=CC=C2)C(C#N)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=C(NC(=NC1=O)SCC(=O)C2=CC=CC=C2)C(C#N)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H19N3O2S/c1-16-23(21(14-26)20-13-7-11-17-8-5-6-12-19(17)20)27-25(28-24(16)30)31-15-22(29)18-9-3-2-4-10-18/h2-13,21H,15H2,1H3,(H,27,28,30)