2-[4-[[(4-methylsulfanylphenyl)methylamino]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one

Systemtic Name: 2-[4-[[(4-methylsulfanylphenyl)methylamino]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one Openeye Name: 2-[4-[[(4-methylsulfanylphenyl)methylamino]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one CAS Name: 2-[4-[[[4-(methylthio)phenyl]methylamino]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one IUPAC Name: 2-[4-[[(4-methylsulfanylphenyl)methylamino]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one Traditional Name: 2-[4-[[[4-(methylthio)benzyl]amino]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one Formula: C29H25N3OS MolecularWeight: 463.5933

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CNCC2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CNC4=O)C5=CC=CC=C5

Isomeric SMILES

CSC1=CC=C(C=C1)CNCC2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CNC4=O)C5=CC=CC=C5

InChI

InChI=1S/C29H25N3OS/c1-34-24-13-9-21(10-14-24)19-30-18-20-7-11-23(12-8-20)28-25(22-5-3-2-4-6-22)17-26-27(32-28)15-16-31-29(26)33/h2-17,30H,18-19H2,1H3,(H,31,33)