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

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

Isomeric SMILES

C/C=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/c1-3-13-23(28-21-16-9-5-10-17-21)24-25(20-14-7-4-8-15-20)29-27(32-2)30(26(24)31)22-18-11-6-12-19-22/h3-19,23,28H,1-2H3/b13-3+