2-[5-ethyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]-2-naphthalen-1-yl-ethanenitrile

Systemtic Name: 2-[5-ethyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]-2-naphthalen-1-yl-ethanenitrile Openeye Name: 2-(2-benzylsulfanyl-5-ethyl-4-oxo-1H-pyrimidin-6-yl)-2-(1-naphthyl)acetonitrile CAS Name: 2-[5-ethyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-6-yl]-2-(1-naphthalenyl)acetonitrile IUPAC Name: 2-(2-benzylsulfanyl-5-ethyl-4-oxo-1H-pyrimidin-6-yl)-2-naphthalen-1-ylacetonitrile Traditional Name: 2-[2-(benzylthio)-5-ethyl-4-keto-1H-pyrimidin-6-yl]-2-(1-naphthyl)acetonitrile Formula: C25H21N3OS MolecularWeight: 411.51874

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SCC2=CC=CC=C2)C(C#N)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCC1=C(NC(=NC1=O)SCC2=CC=CC=C2)C(C#N)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H21N3OS/c1-2-19-23(22(15-26)21-14-8-12-18-11-6-7-13-20(18)21)27-25(28-24(19)29)30-16-17-9-4-3-5-10-17/h3-14,22H,2,16H2,1H3,(H,27,28,29)