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

Systemtic Name: 2-[3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-nitrophenyl)ethanamide Openeye Name: 2-[3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-nitrophenyl)acetamide CAS Name: 2-[[3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]-N-(2-nitrophenyl)acetamide IUPAC Name: 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-nitrophenyl)acetamide Traditional Name: 2-[[3-(2-furfuryl)-4-keto-quinazolin-2-yl]thio]-N-(2-nitrophenyl)acetamide Formula: C21H16N4O5S MolecularWeight: 436.44054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N4O5S/c26-19(22-17-9-3-4-10-18(17)25(28)29)13-31-21-23-16-8-2-1-7-15(16)20(27)24(21)12-14-6-5-11-30-14/h1-11H,12-13H2,(H,22,26)