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

Systemtic Name: 2-[3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(4-methyl-3-nitro-phenyl)acetamide CAS Name: 2-[[3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]-N-(4-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-methyl-3-nitrophenyl)acetamide Traditional Name: 2-[[3-(2-furfuryl)-4-keto-quinazolin-2-yl]thio]-N-(4-methyl-3-nitro-phenyl)acetamide Formula: C22H18N4O5S MolecularWeight: 450.46712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O5S/c1-14-8-9-15(11-19(14)26(29)30)23-20(27)13-32-22-24-18-7-3-2-6-17(18)21(28)25(22)12-16-5-4-10-31-16/h2-11H,12-13H2,1H3,(H,23,27)