2-(2-cyclopentylsulfanyl-5-ethyl-4-oxidanylidene-1H-pyrimidin-6-yl)-2-naphthalen-1-yl-ethanenitrile

Systemtic Name: 2-(2-cyclopentylsulfanyl-5-ethyl-4-oxidanylidene-1H-pyrimidin-6-yl)-2-naphthalen-1-yl-ethanenitrile Openeye Name: 2-(2-cyclopentylsulfanyl-5-ethyl-4-oxo-1H-pyrimidin-6-yl)-2-(1-naphthyl)acetonitrile CAS Name: 2-[2-(cyclopentylthio)-5-ethyl-4-oxo-1H-pyrimidin-6-yl]-2-(1-naphthalenyl)acetonitrile IUPAC Name: 2-(2-cyclopentylsulfanyl-5-ethyl-4-oxo-1H-pyrimidin-6-yl)-2-naphthalen-1-ylacetonitrile Traditional Name: 2-[2-(cyclopentylthio)-5-ethyl-4-keto-1H-pyrimidin-6-yl]-2-(1-naphthyl)acetonitrile Formula: C23H23N3OS MolecularWeight: 389.51322

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SC2CCCC2)C(C#N)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCC1=C(NC(=NC1=O)SC2CCCC2)C(C#N)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H23N3OS/c1-2-17-21(25-23(26-22(17)27)28-16-10-4-5-11-16)20(14-24)19-13-7-9-15-8-3-6-12-18(15)19/h3,6-9,12-13,16,20H,2,4-5,10-11H2,1H3,(H,25,26,27)