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

Systemtic Name: 2-(5-ethyl-2-ethylsulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl)-2-naphthalen-1-yl-ethanenitrile Openeye Name: 2-(5-ethyl-2-ethylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-2-(1-naphthyl)acetonitrile CAS Name: 2-[5-ethyl-2-(ethylthio)-4-oxo-1H-pyrimidin-6-yl]-2-(1-naphthalenyl)acetonitrile IUPAC Name: 2-(5-ethyl-2-ethylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-2-naphthalen-1-ylacetonitrile Traditional Name: 2-[5-ethyl-2-(ethylthio)-4-keto-1H-pyrimidin-6-yl]-2-(1-naphthyl)acetonitrile Formula: C20H19N3OS MolecularWeight: 349.44936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3OS/c1-3-14-18(22-20(25-4-2)23-19(14)24)17(12-21)16-11-7-9-13-8-5-6-10-15(13)16/h5-11,17H,3-4H2,1-2H3,(H,22,23,24)