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

Systemtic Name: 2-(5-ethyl-4-oxidanylidene-2-prop-2-ynylsulfanyl-1H-pyrimidin-6-yl)-2-naphthalen-1-yl-ethanenitrile Openeye Name: 2-(5-ethyl-4-oxo-2-prop-2-ynylsulfanyl-1H-pyrimidin-6-yl)-2-(1-naphthyl)acetonitrile CAS Name: 2-[5-ethyl-4-oxo-2-(prop-2-ynylthio)-1H-pyrimidin-6-yl]-2-(1-naphthalenyl)acetonitrile IUPAC Name: 2-(5-ethyl-4-oxo-2-prop-2-ynylsulfanyl-1H-pyrimidin-6-yl)-2-naphthalen-1-ylacetonitrile Traditional Name: 2-[5-ethyl-4-keto-2-(propargylthio)-1H-pyrimidin-6-yl]-2-(1-naphthyl)acetonitrile Formula: C21H17N3OS MolecularWeight: 359.44418

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SCC#C)C(C#N)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCC1=C(NC(=NC1=O)SCC#C)C(C#N)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C21H17N3OS/c1-3-12-26-21-23-19(15(4-2)20(25)24-21)18(13-22)17-11-7-9-14-8-5-6-10-16(14)17/h1,5-11,18H,4,12H2,2H3,(H,23,24,25)