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

Systemtic Name: 4-[2-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethyl]benzenesulfonamide Openeye Name: 4-[2-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]ethyl]benzenesulfonamide CAS Name: 4-[2-[2-[(3-nitrophenyl)methylthio]-4-oxo-3-quinazolinyl]ethyl]benzenesulfonamide IUPAC Name: 4-[2-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]ethyl]benzenesulfonamide Traditional Name: 4-[2-[4-keto-2-[(3-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(=CC=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(=CC=C3)[N+](=O)[O-])CCC4=CC=C(C=C4)S(=O)(=O)N

InChI

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