2-[4-[[2,4-bis(oxidanylidene)-3-propyl-6-propylsulfanyl-pyrimidin-1-yl]methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[[2,4-bis(oxidanylidene)-3-propyl-6-propylsulfanyl-pyrimidin-1-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(2,4-dioxo-3-propyl-6-propylsulfanyl-pyrimidin-1-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[[2,4-dioxo-3-propyl-6-(propylthio)-1-pyrimidinyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(2,4-dioxo-3-propyl-6-propylsulfanylpyrimidin-1-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[2,4-diketo-3-propyl-6-(propylthio)pyrimidin-1-yl]methyl]phenyl]benzonitrile Formula: C24H25N3O2S MolecularWeight: 419.5392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C=C(N(C1=O)CC2=CC=C(C=C2)C3=CC=CC=C3C#N)SCCC

Isomeric SMILES

CCCN1C(=O)C=C(N(C1=O)CC2=CC=C(C=C2)C3=CC=CC=C3C#N)SCCC

InChI

InChI=1S/C24H25N3O2S/c1-3-13-26-22(28)15-23(30-14-4-2)27(24(26)29)17-18-9-11-19(12-10-18)21-8-6-5-7-20(21)16-25/h5-12,15H,3-4,13-14,17H2,1-2H3