(3E)-3-[(4-nitrophenyl)sulfanyl-phenyl-methylidene]-2-phenyl-isoindol-1-one

Systemtic Name: (3E)-3-[(4-nitrophenyl)sulfanyl-phenyl-methylidene]-2-phenyl-isoindol-1-one Openeye Name: (3E)-3-[(4-nitrophenyl)sulfanyl-phenyl-methylene]-2-phenyl-isoindolin-1-one CAS Name: (3E)-3-[[(4-nitrophenyl)thio]-phenylmethylidene]-2-phenyl-1-isoindolone IUPAC Name: (3E)-3-[(4-nitrophenyl)sulfanyl-phenylmethylidene]-2-phenylisoindol-1-one Traditional Name: (3E)-3-[[(4-nitrophenyl)thio]-phenyl-methylene]-2-phenyl-isoindolin-1-one Formula: C27H18N2O3S MolecularWeight: 450.50842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C2C3=CC=CC=C3C(=O)N2C4=CC=CC=C4)SC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)/C(=C\2/C3=CC=CC=C3C(=O)N2C4=CC=CC=C4)/SC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H18N2O3S/c30-27-24-14-8-7-13-23(24)25(28(27)20-11-5-2-6-12-20)26(19-9-3-1-4-10-19)33-22-17-15-21(16-18-22)29(31)32/h1-18H/b26-25+