5-[2-[(2,5-dimethylphenyl)methylsulfinyl]ethyl]-2-phenyl-6-[(E)-2-phenylethenyl]-1H-pyrimidin-4-one

Systemtic Name: 5-[2-[(2,5-dimethylphenyl)methylsulfinyl]ethyl]-2-phenyl-6-[(E)-2-phenylethenyl]-1H-pyrimidin-4-one Openeye Name: 5-[2-[(2,5-dimethylphenyl)methylsulfinyl]ethyl]-2-phenyl-6-[(E)-styryl]-1H-pyrimidin-4-one CAS Name: 5-[2-[(2,5-dimethylphenyl)methylsulfinyl]ethyl]-2-phenyl-6-[(E)-2-phenylethenyl]-1H-pyrimidin-4-one IUPAC Name: 5-[2-[(2,5-dimethylphenyl)methylsulfinyl]ethyl]-2-phenyl-6-[(E)-2-phenylethenyl]-1H-pyrimidin-4-one Traditional Name: 5-[2-(2,5-dimethylbenzyl)sulfinylethyl]-2-phenyl-6-[(E)-styryl]-1H-pyrimidin-4-one Formula: C29H28N2O2S MolecularWeight: 468.60982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CS(=O)CCC2=C(NC(=NC2=O)C3=CC=CC=C3)C=CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)CS(=O)CCC2=C(NC(=NC2=O)C3=CC=CC=C3)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C29H28N2O2S/c1-21-13-14-22(2)25(19-21)20-34(33)18-17-26-27(16-15-23-9-5-3-6-10-23)30-28(31-29(26)32)24-11-7-4-8-12-24/h3-16,19H,17-18,20H2,1-2H3,(H,30,31,32)/b16-15+