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

Systemtic Name: 2-(5-methyl-4-oxidanylidene-2-prop-2-ynylsulfanyl-1H-pyrimidin-6-yl)-2-naphthalen-1-yl-ethanenitrile Openeye Name: 2-(5-methyl-4-oxo-2-prop-2-ynylsulfanyl-1H-pyrimidin-6-yl)-2-(1-naphthyl)acetonitrile CAS Name: 2-[5-methyl-4-oxo-2-(prop-2-ynylthio)-1H-pyrimidin-6-yl]-2-(1-naphthalenyl)acetonitrile IUPAC Name: 2-(5-methyl-4-oxo-2-prop-2-ynylsulfanyl-1H-pyrimidin-6-yl)-2-naphthalen-1-ylacetonitrile Traditional Name: 2-[4-keto-5-methyl-2-(propargylthio)-1H-pyrimidin-6-yl]-2-(1-naphthyl)acetonitrile Formula: C20H15N3OS MolecularWeight: 345.4176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SCC#C)C(C#N)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC1=C(NC(=NC1=O)SCC#C)C(C#N)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C20H15N3OS/c1-3-11-25-20-22-18(13(2)19(24)23-20)17(12-21)16-10-6-8-14-7-4-5-9-15(14)16/h1,4-10,17H,11H2,2H3,(H,22,23,24)