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

Systemtic Name: N-(4-fluoranyl-3-nitro-phenyl)-2-[3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-fluoro-3-nitro-phenyl)-2-[3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(4-fluoro-3-nitrophenyl)-2-[[3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-fluoro-3-nitrophenyl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(4-fluoro-3-nitro-phenyl)-2-[[3-(2-furfuryl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C21H15FN4O5S MolecularWeight: 454.431003

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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-])CC4=CC=CO4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])CC4=CC=CO4

InChI

InChI=1S/C21H15FN4O5S/c22-16-8-7-13(10-18(16)26(29)30)23-19(27)12-32-21-24-17-6-2-1-5-15(17)20(28)25(21)11-14-4-3-9-31-14/h1-10H,11-12H2,(H,23,27)