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

Systemtic Name: 2-[5-ethyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]-2-naphthalen-2-yl-ethanenitrile Openeye Name: 2-(2-benzylsulfanyl-5-ethyl-4-oxo-1H-pyrimidin-6-yl)-2-(2-naphthyl)acetonitrile CAS Name: 2-[5-ethyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-6-yl]-2-(2-naphthalenyl)acetonitrile IUPAC Name: 2-(2-benzylsulfanyl-5-ethyl-4-oxo-1H-pyrimidin-6-yl)-2-naphthalen-2-ylacetonitrile Traditional Name: 2-[2-(benzylthio)-5-ethyl-4-keto-1H-pyrimidin-6-yl]-2-(2-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=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCC1=C(NC(=NC1=O)SCC2=CC=CC=C2)C(C#N)C3=CC4=CC=CC=C4C=C3

InChI

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