4-[[6-oxidanylidene-4-phenyl-2-(phenylmethylsulfanyl)pyrimidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[6-oxidanylidene-4-phenyl-2-(phenylmethylsulfanyl)pyrimidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[(2-benzylsulfanyl-6-oxo-4-phenyl-pyrimidin-1-yl)methyl]benzonitrile CAS Name: 4-[[6-oxo-4-phenyl-2-(phenylmethylthio)-1-pyrimidinyl]methyl]benzonitrile IUPAC Name: 4-[(2-benzylsulfanyl-6-oxo-4-phenylpyrimidin-1-yl)methyl]benzonitrile Traditional Name: 4-[[2-(benzylthio)-6-keto-4-phenyl-pyrimidin-1-yl]methyl]benzonitrile Formula: C25H19N3OS MolecularWeight: 409.50286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=CC(=O)N2CC3=CC=C(C=C3)C#N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=CC(=O)N2CC3=CC=C(C=C3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C25H19N3OS/c26-16-19-11-13-20(14-12-19)17-28-24(29)15-23(22-9-5-2-6-10-22)27-25(28)30-18-21-7-3-1-4-8-21/h1-15H,17-18H2