N-(4-chloranyl-3-nitro-phenyl)-2-(6-fluoranyl-2-phenyl-quinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-2-(6-fluoranyl-2-phenyl-quinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(4-chloro-3-nitro-phenyl)-2-(6-fluoro-2-phenyl-quinazolin-4-yl)sulfanyl-acetamide CAS Name: N-(4-chloro-3-nitrophenyl)-2-[(6-fluoro-2-phenyl-4-quinazolinyl)thio]acetamide IUPAC Name: N-(4-chloro-3-nitrophenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-(4-chloro-3-nitro-phenyl)-2-[(6-fluoro-2-phenyl-quinazolin-4-yl)thio]acetamide Formula: C22H14ClFN4O3S MolecularWeight: 468.887963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)F)C(=N2)SCC(=O)NC4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)F)C(=N2)SCC(=O)NC4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H14ClFN4O3S/c23-17-8-7-15(11-19(17)28(30)31)25-20(29)12-32-22-16-10-14(24)6-9-18(16)26-21(27-22)13-4-2-1-3-5-13/h1-11H,12H2,(H,25,29)