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

Systemtic Name: 2-(5-ethyl-4-oxidanylidene-2-propan-2-ylsulfanyl-1H-pyrimidin-6-yl)-2-phenyl-ethanenitrile Openeye Name: 2-(5-ethyl-2-isopropylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-2-phenyl-acetonitrile CAS Name: 2-[5-ethyl-4-oxo-2-(propan-2-ylthio)-1H-pyrimidin-6-yl]-2-phenylacetonitrile IUPAC Name: 2-(5-ethyl-4-oxo-2-propan-2-ylsulfanyl-1H-pyrimidin-6-yl)-2-phenylacetonitrile Traditional Name: 2-[5-ethyl-2-(isopropylthio)-4-keto-1H-pyrimidin-6-yl]-2-phenyl-acetonitrile Formula: C17H19N3OS MolecularWeight: 313.41726

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SC(C)C)C(C#N)C2=CC=CC=C2

Isomeric SMILES

CCC1=C(NC(=NC1=O)SC(C)C)C(C#N)C2=CC=CC=C2

InChI

InChI=1S/C17H19N3OS/c1-4-13-15(14(10-18)12-8-6-5-7-9-12)19-17(20-16(13)21)22-11(2)3/h5-9,11,14H,4H2,1-3H3,(H,19,20,21)