4-[2-[2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethyl]benzenesulfonamide

Systemtic Name: 4-[2-[2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethyl]benzenesulfonamide Openeye Name: 4-[2-[2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]ethyl]benzenesulfonamide CAS Name: 4-[2-[2-[(4-nitrophenyl)methylthio]-4-oxo-3-quinazolinyl]ethyl]benzenesulfonamide IUPAC Name: 4-[2-[2-[(4-nitrophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]ethyl]benzenesulfonamide Traditional Name: 4-[2-[4-keto-2-[(4-nitrobenzyl)thio]quinazolin-3-yl]ethyl]benzenesulfonamide Formula: C23H20N4O5S2 MolecularWeight: 496.5587

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])CCC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])CCC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C23H20N4O5S2/c24-34(31,32)19-11-7-16(8-12-19)13-14-26-22(28)20-3-1-2-4-21(20)25-23(26)33-15-17-5-9-18(10-6-17)27(29)30/h1-12H,13-15H2,(H2,24,31,32)