3-[[3-[4-(2-methylsulfanylphenyl)phenyl]-2-oxidanylidene-1,3-diazinan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[3-[4-(2-methylsulfanylphenyl)phenyl]-2-oxidanylidene-1,3-diazinan-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[3-[4-(2-methylsulfanylphenyl)phenyl]-2-oxo-hexahydropyrimidin-1-yl]methyl]benzonitrile CAS Name: 3-[[3-[4-[2-(methylthio)phenyl]phenyl]-2-oxo-1,3-diazinan-1-yl]methyl]benzonitrile IUPAC Name: 3-[[3-[4-(2-methylsulfanylphenyl)phenyl]-2-oxo-1,3-diazinan-1-yl]methyl]benzonitrile Traditional Name: 3-[[2-keto-3-[4-[2-(methylthio)phenyl]phenyl]hexahydropyrimidin-1-yl]methyl]benzonitrile Formula: C25H23N3OS MolecularWeight: 413.53462

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C2=CC=C(C=C2)N3CCCN(C3=O)CC4=CC=CC(=C4)C#N

Isomeric SMILES

CSC1=CC=CC=C1C2=CC=C(C=C2)N3CCCN(C3=O)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C25H23N3OS/c1-30-24-9-3-2-8-23(24)21-10-12-22(13-11-21)28-15-5-14-27(25(28)29)18-20-7-4-6-19(16-20)17-26/h2-4,6-13,16H,5,14-15,18H2,1H3