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

Systemtic Name: 3-[[3-[4-(2-methylsulfonylphenyl)phenyl]-2-oxidanylidene-1,3-diazinan-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[3-[4-(2-methylsulfonylphenyl)phenyl]-2-oxo-hexahydropyrimidin-1-yl]methyl]benzonitrile CAS Name: 3-[[3-[4-(2-methylsulfonylphenyl)phenyl]-2-oxo-1,3-diazinan-1-yl]methyl]benzonitrile IUPAC Name: 3-[[3-[4-(2-methylsulfonylphenyl)phenyl]-2-oxo-1,3-diazinan-1-yl]methyl]benzonitrile Traditional Name: 3-[[2-keto-3-[4-(2-mesylphenyl)phenyl]hexahydropyrimidin-1-yl]methyl]benzonitrile Formula: C25H23N3O3S MolecularWeight: 445.53342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)N3CCCN(C3=O)CC4=CC=CC(=C4)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)N3CCCN(C3=O)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C25H23N3O3S/c1-32(30,31)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