(4E)-2-(3-methylphenyl)-4-[(7-methyl-2-phenylsulfanyl-quinolin-3-yl)methylidene]-1,3-oxazol-5-one

Systemtic Name: (4E)-2-(3-methylphenyl)-4-[(7-methyl-2-phenylsulfanyl-quinolin-3-yl)methylidene]-1,3-oxazol-5-one Openeye Name: (4E)-4-[(7-methyl-2-phenylsulfanyl-3-quinolyl)methylene]-2-(m-tolyl)oxazol-5-one CAS Name: (4E)-2-(3-methylphenyl)-4-[[7-methyl-2-(phenylthio)-3-quinolinyl]methylidene]-5-oxazolone IUPAC Name: (4E)-2-(3-methylphenyl)-4-[(7-methyl-2-phenylsulfanylquinolin-3-yl)methylidene]-1,3-oxazol-5-one Traditional Name: (4E)-4-[[7-methyl-2-(phenylthio)-3-quinolyl]methylene]-2-(m-tolyl)-2-oxazolin-5-one Formula: C27H20N2O2S MolecularWeight: 436.5249

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)C=C3C(=O)OC(=N3)C4=CC(=CC=C4)C)SC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)/C=C/3\C(=O)OC(=N3)C4=CC(=CC=C4)C)SC5=CC=CC=C5

InChI

InChI=1S/C27H20N2O2S/c1-17-7-6-8-20(13-17)25-28-24(27(30)31-25)16-21-15-19-12-11-18(2)14-23(19)29-26(21)32-22-9-4-3-5-10-22/h3-16H,1-2H3/b24-16+