2-[2-(4-fluorophenyl)-8-methyl-quinazolin-4-yl]sulfanyl-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[2-(4-fluorophenyl)-8-methyl-quinazolin-4-yl]sulfanyl-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[2-(4-fluorophenyl)-8-methyl-quinazolin-4-yl]sulfanyl-N-(3-nitrophenyl)acetamide CAS Name: 2-[[2-(4-fluorophenyl)-8-methyl-4-quinazolinyl]thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[2-(4-fluorophenyl)-8-methylquinazolin-4-yl]sulfanyl-N-(3-nitrophenyl)acetamide Traditional Name: 2-[[2-(4-fluorophenyl)-8-methyl-quinazolin-4-yl]thio]-N-(3-nitrophenyl)acetamide Formula: C23H17FN4O3S MolecularWeight: 448.469483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(N=C2SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=CC2=C1N=C(N=C2SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)F

InChI

InChI=1S/C23H17FN4O3S/c1-14-4-2-7-19-21(14)26-22(15-8-10-16(24)11-9-15)27-23(19)32-13-20(29)25-17-5-3-6-18(12-17)28(30)31/h2-12H,13H2,1H3,(H,25,29)