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

Systemtic Name: 2-(5-methyl-4-oxidanylidene-2-propan-2-ylsulfanyl-1H-pyrimidin-6-yl)-2-phenyl-ethanenitrile Openeye Name: 2-(2-isopropylsulfanyl-5-methyl-4-oxo-1H-pyrimidin-6-yl)-2-phenyl-acetonitrile CAS Name: 2-[5-methyl-4-oxo-2-(propan-2-ylthio)-1H-pyrimidin-6-yl]-2-phenylacetonitrile IUPAC Name: 2-(5-methyl-4-oxo-2-propan-2-ylsulfanyl-1H-pyrimidin-6-yl)-2-phenylacetonitrile Traditional Name: 2-[2-(isopropylthio)-4-keto-5-methyl-1H-pyrimidin-6-yl]-2-phenyl-acetonitrile Formula: C16H17N3OS MolecularWeight: 299.39068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3OS/c1-10(2)21-16-18-14(11(3)15(20)19-16)13(9-17)12-7-5-4-6-8-12/h4-8,10,13H,1-3H3,(H,18,19,20)