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

Systemtic Name: (4E)-2-(2-chlorophenyl)-4-[(7-methyl-2-phenylsulfanyl-quinolin-3-yl)methylidene]-1,3-oxazol-5-one Openeye Name: (4E)-2-(2-chlorophenyl)-4-[(7-methyl-2-phenylsulfanyl-3-quinolyl)methylene]oxazol-5-one CAS Name: (4E)-2-(2-chlorophenyl)-4-[[7-methyl-2-(phenylthio)-3-quinolinyl]methylidene]-5-oxazolone IUPAC Name: (4E)-2-(2-chlorophenyl)-4-[(7-methyl-2-phenylsulfanylquinolin-3-yl)methylidene]-1,3-oxazol-5-one Traditional Name: (4E)-2-(2-chlorophenyl)-4-[[7-methyl-2-(phenylthio)-3-quinolyl]methylene]-2-oxazolin-5-one Formula: C26H17ClN2O2S MolecularWeight: 456.94338

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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=C4Cl)SC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)/C=C/3\C(=O)OC(=N3)C4=CC=CC=C4Cl)SC5=CC=CC=C5

InChI

InChI=1S/C26H17ClN2O2S/c1-16-11-12-17-14-18(25(29-22(17)13-16)32-19-7-3-2-4-8-19)15-23-26(30)31-24(28-23)20-9-5-6-10-21(20)27/h2-15H,1H3/b23-15+