2-[2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-3-(4-nitrophenyl)quinazolin-4-one

Systemtic Name: 2-[2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-3-(4-nitrophenyl)quinazolin-4-one Openeye Name: 2-[2-(1H-indol-3-yl)-2-oxo-1-phenyl-ethyl]sulfanyl-3-(4-nitrophenyl)quinazolin-4-one CAS Name: 2-[[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]thio]-3-(4-nitrophenyl)-4-quinazolinone IUPAC Name: 2-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]sulfanyl-3-(4-nitrophenyl)quinazolin-4-one Traditional Name: 2-[[2-(1H-indol-3-yl)-2-keto-1-phenyl-ethyl]thio]-3-(4-nitrophenyl)quinazolin-4-one Formula: C30H20N4O4S MolecularWeight: 532.5692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)C2=CNC3=CC=CC=C32)SC4=NC5=CC=CC=C5C(=O)N4C6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)C2=CNC3=CC=CC=C32)SC4=NC5=CC=CC=C5C(=O)N4C6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C30H20N4O4S/c35-27(24-18-31-25-12-6-4-10-22(24)25)28(19-8-2-1-3-9-19)39-30-32-26-13-7-5-11-23(26)29(36)33(30)20-14-16-21(17-15-20)34(37)38/h1-18,28,31H