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

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

CC1=CC=C(C=C1)N2C(=O)C(=C(N=C2SC)C3=CC=CC=C3)C=CC(C)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=C(N=C2SC)C3=CC=CC=C3)/C=C/C(C)NC4=CC=CC=C4

InChI

InChI=1S/C28H27N3OS/c1-20-14-17-24(18-15-20)31-27(32)25(19-16-21(2)29-23-12-8-5-9-13-23)26(30-28(31)33-3)22-10-6-4-7-11-22/h4-19,21,29H,1-3H3/b19-16+