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

Systemtic Name: 2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[2-(2-furyl)quinazolin-4-yl]sulfanyl-N-(2-methyl-3-nitro-phenyl)acetamide CAS Name: 2-[[2-(2-furanyl)-4-quinazolinyl]thio]-N-(2-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methyl-3-nitrophenyl)acetamide Traditional Name: 2-[[2-(2-furyl)quinazolin-4-yl]thio]-N-(2-methyl-3-nitro-phenyl)acetamide Formula: C21H16N4O4S MolecularWeight: 420.44114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CO4

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CO4

InChI

InChI=1S/C21H16N4O4S/c1-13-15(8-4-9-17(13)25(27)28)22-19(26)12-30-21-14-6-2-3-7-16(14)23-20(24-21)18-10-5-11-29-18/h2-11H,12H2,1H3,(H,22,26)