4-fluoranyl-N-[2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]benzamide

Systemtic Name: 4-fluoranyl-N-[2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]benzamide Openeye Name: 4-fluoro-N-[2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]benzamide CAS Name: 4-fluoro-N-[2-[(4-nitrophenyl)methylthio]-4-oxo-3-quinazolinyl]benzamide IUPAC Name: 4-fluoro-N-[2-[(4-nitrophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]benzamide Traditional Name: 4-fluoro-N-[4-keto-2-[(4-nitrobenzyl)thio]quinazolin-3-yl]benzamide Formula: C22H15FN4O4S MolecularWeight: 450.442303

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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-])NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C22H15FN4O4S/c23-16-9-7-15(8-10-16)20(28)25-26-21(29)18-3-1-2-4-19(18)24-22(26)32-13-14-5-11-17(12-6-14)27(30)31/h1-12H,13H2,(H,25,28)