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

Systemtic Name: 3-(4-chlorophenyl)-2-methylsulfanyl-6-phenyl-5-[(E)-3-phenylazanylbut-1-enyl]pyrimidin-4-one Openeye Name: 5-[(E)-3-anilinobut-1-enyl]-3-(4-chlorophenyl)-2-methylsulfanyl-6-phenyl-pyrimidin-4-one CAS Name: 5-[(E)-3-anilinobut-1-enyl]-3-(4-chlorophenyl)-2-(methylthio)-6-phenyl-4-pyrimidinone IUPAC Name: 5-[(E)-3-anilinobut-1-enyl]-3-(4-chlorophenyl)-2-methylsulfanyl-6-phenylpyrimidin-4-one Traditional Name: 5-[(E)-3-anilinobut-1-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(C=CC1=C(N=C(N(C1=O)C2=CC=C(C=C2)Cl)SC)C3=CC=CC=C3)NC4=CC=CC=C4

Isomeric SMILES

CC(/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/c1-19(29-22-11-7-4-8-12-22)13-18-24-25(20-9-5-3-6-10-20)30-27(33-2)31(26(24)32)23-16-14-21(28)15-17-23/h3-19,29H,1-2H3/b18-13+