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

Systemtic Name: 2-methylsulfanyl-3,6-diphenyl-5-[(E)-3-phenylazanylbut-1-enyl]pyrimidin-4-one Openeye Name: 5-[(E)-3-anilinobut-1-enyl]-2-methylsulfanyl-3,6-diphenyl-pyrimidin-4-one CAS Name: 5-[(E)-3-anilinobut-1-enyl]-2-(methylthio)-3,6-diphenyl-4-pyrimidinone IUPAC Name: 5-[(E)-3-anilinobut-1-enyl]-2-methylsulfanyl-3,6-diphenylpyrimidin-4-one Traditional Name: 5-[(E)-3-anilinobut-1-enyl]-2-(methylthio)-3,6-diphenyl-pyrimidin-4-one Formula: C27H25N3OS MolecularWeight: 439.5719

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CC1=C(N=C(N(C1=O)C2=CC=CC=C2)SC)C3=CC=CC=C3)NC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3OS/c1-20(28-22-14-8-4-9-15-22)18-19-24-25(21-12-6-3-7-13-21)29-27(32-2)30(26(24)31)23-16-10-5-11-17-23/h3-20,28H,1-2H3/b19-18+