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

Systemtic Name: 4-[[2-[(2-chlorophenyl)methylsulfanyl]-6-oxidanylidene-4-phenyl-pyrimidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[2-[(2-chlorophenyl)methylsulfanyl]-6-oxo-4-phenyl-pyrimidin-1-yl]methyl]benzonitrile CAS Name: 4-[[2-[(2-chlorophenyl)methylthio]-6-oxo-4-phenyl-1-pyrimidinyl]methyl]benzonitrile IUPAC Name: 4-[[2-[(2-chlorophenyl)methylsulfanyl]-6-oxo-4-phenylpyrimidin-1-yl]methyl]benzonitrile Traditional Name: 4-[[2-[(2-chlorobenzyl)thio]-6-keto-4-phenyl-pyrimidin-1-yl]methyl]benzonitrile Formula: C25H18ClN3OS MolecularWeight: 443.94792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)N(C(=N2)SCC3=CC=CC=C3Cl)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)N(C(=N2)SCC3=CC=CC=C3Cl)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H18ClN3OS/c26-22-9-5-4-8-21(22)17-31-25-28-23(20-6-2-1-3-7-20)14-24(30)29(25)16-19-12-10-18(15-27)11-13-19/h1-14H,16-17H2