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

Systemtic Name: 3-(4-chlorophenyl)-2-methylsulfanyl-6-phenyl-5-[(E)-1-phenylazanylbut-2-enyl]pyrimidin-4-one Openeye Name: 5-[(E)-1-anilinobut-2-enyl]-3-(4-chlorophenyl)-2-methylsulfanyl-6-phenyl-pyrimidin-4-one CAS Name: 5-[(E)-1-anilinobut-2-enyl]-3-(4-chlorophenyl)-2-(methylthio)-6-phenyl-4-pyrimidinone IUPAC Name: 5-[(E)-1-anilinobut-2-enyl]-3-(4-chlorophenyl)-2-methylsulfanyl-6-phenylpyrimidin-4-one Traditional Name: 5-[(E)-1-anilinobut-2-enyl]-3-(4-chlorophenyl)-2-(methylthio)-6-phenyl-pyrimidin-4-one Formula: C27H24ClN3OS MolecularWeight: 474.01696

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H24ClN3OS/c1-3-10-23(29-21-13-8-5-9-14-21)24-25(19-11-6-4-7-12-19)30-27(33-2)31(26(24)32)22-17-15-20(28)16-18-22/h3-18,23,29H,1-2H3/b10-3+