2-[7-chloranyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-(2-fluoranyl-5-nitro-phenyl)ethanamide

Systemtic Name: 2-[7-chloranyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-(2-fluoranyl-5-nitro-phenyl)ethanamide Openeye Name: 2-[7-chloro-4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-(2-fluoro-5-nitro-phenyl)acetamide CAS Name: 2-[[7-chloro-4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]-N-(2-fluoro-5-nitrophenyl)acetamide IUPAC Name: 2-[7-chloro-4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-(2-fluoro-5-nitrophenyl)acetamide Traditional Name: 2-[[7-chloro-4-keto-3-(tetrahydrofurfuryl)quinazolin-2-yl]thio]-N-(2-fluoro-5-nitro-phenyl)acetamide Formula: C21H18ClFN4O5S MolecularWeight: 492.907823

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])F

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])F

InChI

InChI=1S/C21H18ClFN4O5S/c22-12-3-5-15-17(8-12)25-21(26(20(15)29)10-14-2-1-7-32-14)33-11-19(28)24-18-9-13(27(30)31)4-6-16(18)23/h3-6,8-9,14H,1-2,7,10-11H2,(H,24,28)