(4E)-2-(2-methyl-3-nitro-phenyl)-4-[(4-methylsulfanylphenyl)methylidene]-1,3-oxazol-5-one

Systemtic Name: (4E)-2-(2-methyl-3-nitro-phenyl)-4-[(4-methylsulfanylphenyl)methylidene]-1,3-oxazol-5-one Openeye Name: (4E)-2-(2-methyl-3-nitro-phenyl)-4-[(4-methylsulfanylphenyl)methylene]oxazol-5-one CAS Name: (4E)-2-(2-methyl-3-nitrophenyl)-4-[[4-(methylthio)phenyl]methylidene]-5-oxazolone IUPAC Name: (4E)-2-(2-methyl-3-nitrophenyl)-4-[(4-methylsulfanylphenyl)methylidene]-1,3-oxazol-5-one Traditional Name: (4E)-2-(2-methyl-3-nitro-phenyl)-4-[4-(methylthio)benzylidene]-2-oxazolin-5-one Formula: C18H14N2O4S MolecularWeight: 354.37976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C2=NC(=CC3=CC=C(C=C3)SC)C(=O)O2

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C2=N/C(=C/C3=CC=C(C=C3)SC)/C(=O)O2

InChI

InChI=1S/C18H14N2O4S/c1-11-14(4-3-5-16(11)20(22)23)17-19-15(18(21)24-17)10-12-6-8-13(25-2)9-7-12/h3-10H,1-2H3/b15-10+