3-(4-methylphenyl)-2-methylsulfanyl-6-phenyl-5-[(E)-1-phenylazanylbut-2-enyl]pyrimidin-4-one

Systemtic Name: 3-(4-methylphenyl)-2-methylsulfanyl-6-phenyl-5-[(E)-1-phenylazanylbut-2-enyl]pyrimidin-4-one Openeye Name: 5-[(E)-1-anilinobut-2-enyl]-2-methylsulfanyl-6-phenyl-3-(p-tolyl)pyrimidin-4-one CAS Name: 5-[(E)-1-anilinobut-2-enyl]-3-(4-methylphenyl)-2-(methylthio)-6-phenyl-4-pyrimidinone IUPAC Name: 5-[(E)-1-anilinobut-2-enyl]-3-(4-methylphenyl)-2-methylsulfanyl-6-phenylpyrimidin-4-one Traditional Name: 5-[(E)-1-anilinobut-2-enyl]-2-(methylthio)-6-phenyl-3-(p-tolyl)pyrimidin-4-one Formula: C28H27N3OS MolecularWeight: 453.59848

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(C1=C(N=C(N(C1=O)C2=CC=C(C=C2)C)SC)C3=CC=CC=C3)NC4=CC=CC=C4

Isomeric SMILES

C/C=C/C(C1=C(N=C(N(C1=O)C2=CC=C(C=C2)C)SC)C3=CC=CC=C3)NC4=CC=CC=C4

InChI

InChI=1S/C28H27N3OS/c1-4-11-24(29-22-14-9-6-10-15-22)25-26(21-12-7-5-8-13-21)30-28(33-3)31(27(25)32)23-18-16-20(2)17-19-23/h4-19,24,29H,1-3H3/b11-4+