2-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-fluoranyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-fluoranyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[3-(3-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(4-fluoro-3-nitro-phenyl)acetamide CAS Name: 2-[[3-(3-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(4-fluoro-3-nitrophenyl)acetamide IUPAC Name: 2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-fluoro-3-nitrophenyl)acetamide Traditional Name: 2-[[3-(3-chlorophenyl)-4-keto-quinazolin-2-yl]thio]-N-(4-fluoro-3-nitro-phenyl)acetamide Formula: C22H14ClFN4O4S MolecularWeight: 484.887363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])C4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H14ClFN4O4S/c23-13-4-3-5-15(10-13)27-21(30)16-6-1-2-7-18(16)26-22(27)33-12-20(29)25-14-8-9-17(24)19(11-14)28(31)32/h1-11H,12H2,(H,25,29)