(4E)-2-(2-methylphenyl)-4-[(8-methyl-2-phenylsulfanyl-quinolin-3-yl)methylidene]-1,3-oxazol-5-one

Systemtic Name: (4E)-2-(2-methylphenyl)-4-[(8-methyl-2-phenylsulfanyl-quinolin-3-yl)methylidene]-1,3-oxazol-5-one Openeye Name: (4E)-4-[(8-methyl-2-phenylsulfanyl-3-quinolyl)methylene]-2-(o-tolyl)oxazol-5-one CAS Name: (4E)-2-(2-methylphenyl)-4-[[8-methyl-2-(phenylthio)-3-quinolinyl]methylidene]-5-oxazolone IUPAC Name: (4E)-2-(2-methylphenyl)-4-[(8-methyl-2-phenylsulfanylquinolin-3-yl)methylidene]-1,3-oxazol-5-one Traditional Name: (4E)-4-[[8-methyl-2-(phenylthio)-3-quinolyl]methylene]-2-(o-tolyl)-2-oxazolin-5-one Formula: C27H20N2O2S MolecularWeight: 436.5249

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC(=CC3=C(N=C4C(=CC=CC4=C3)C)SC5=CC=CC=C5)C(=O)O2

Isomeric SMILES

CC1=CC=CC=C1C2=N/C(=C/C3=C(N=C4C(=CC=CC4=C3)C)SC5=CC=CC=C5)/C(=O)O2

InChI

InChI=1S/C27H20N2O2S/c1-17-9-6-7-14-22(17)25-28-23(27(30)31-25)16-20-15-19-11-8-10-18(2)24(19)29-26(20)32-21-12-4-3-5-13-21/h3-16H,1-2H3/b23-16+