2-(5-methyl-4-oxidanylidene-2-phenacylsulfanyl-1H-pyrimidin-6-yl)-2-phenyl-ethanenitrile

Systemtic Name: 2-(5-methyl-4-oxidanylidene-2-phenacylsulfanyl-1H-pyrimidin-6-yl)-2-phenyl-ethanenitrile Openeye Name: 2-(5-methyl-4-oxo-2-phenacylsulfanyl-1H-pyrimidin-6-yl)-2-phenyl-acetonitrile CAS Name: 2-[5-methyl-4-oxo-2-(phenacylthio)-1H-pyrimidin-6-yl]-2-phenylacetonitrile IUPAC Name: 2-(5-methyl-4-oxo-2-phenacylsulfanyl-1H-pyrimidin-6-yl)-2-phenylacetonitrile Traditional Name: 2-[4-keto-5-methyl-2-(phenacylthio)-1H-pyrimidin-6-yl]-2-phenyl-acetonitrile Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SCC(=O)C2=CC=CC=C2)C(C#N)C3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=NC1=O)SCC(=O)C2=CC=CC=C2)C(C#N)C3=CC=CC=C3

InChI

InChI=1S/C21H17N3O2S/c1-14-19(17(12-22)15-8-4-2-5-9-15)23-21(24-20(14)26)27-13-18(25)16-10-6-3-7-11-16/h2-11,17H,13H2,1H3,(H,23,24,26)