3-[(E)-2-(4-methylsulfanylphenyl)-1-quinolin-2-yl-ethenyl]-1H-quinoxalin-2-one

Systemtic Name: 3-[(E)-2-(4-methylsulfanylphenyl)-1-quinolin-2-yl-ethenyl]-1H-quinoxalin-2-one Openeye Name: 3-[(E)-2-(4-methylsulfanylphenyl)-1-(2-quinolyl)vinyl]-1H-quinoxalin-2-one CAS Name: 3-[(E)-2-[4-(methylthio)phenyl]-1-(2-quinolinyl)ethenyl]-1H-quinoxalin-2-one IUPAC Name: 3-[(E)-2-(4-methylsulfanylphenyl)-1-quinolin-2-ylethenyl]-1H-quinoxalin-2-one Traditional Name: 3-[(E)-2-[4-(methylthio)phenyl]-1-(2-quinolyl)vinyl]-1H-quinoxalin-2-one Formula: C26H19N3OS MolecularWeight: 421.51356

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=C(C2=NC3=CC=CC=C3C=C2)C4=NC5=CC=CC=C5NC4=O

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C(\C2=NC3=CC=CC=C3C=C2)/C4=NC5=CC=CC=C5NC4=O

InChI

InChI=1S/C26H19N3OS/c1-31-19-13-10-17(11-14-19)16-20(22-15-12-18-6-2-3-7-21(18)27-22)25-26(30)29-24-9-5-4-8-23(24)28-25/h2-16H,1H3,(H,29,30)/b20-16+