4-[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-nitro-N-phenyl-benzenesulfonamide

Systemtic Name: 4-[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-nitro-N-phenyl-benzenesulfonamide Openeye Name: 4-[3-(4-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-3-nitro-N-phenyl-benzenesulfonamide CAS Name: 4-[[3-(4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]-3-nitro-N-phenylbenzenesulfonamide IUPAC Name: 4-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-3-nitro-N-phenylbenzenesulfonamide Traditional Name: 4-[[3-(4-fluorophenyl)-4-keto-quinazolin-2-yl]thio]-3-nitro-N-phenyl-benzenesulfonamide Formula: C26H17FN4O5S2 MolecularWeight: 548.565383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)SC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)SC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F)[N+](=O)[O-]

InChI

InChI=1S/C26H17FN4O5S2/c27-17-10-12-19(13-11-17)30-25(32)21-8-4-5-9-22(21)28-26(30)37-24-15-14-20(16-23(24)31(33)34)38(35,36)29-18-6-2-1-3-7-18/h1-16,29H