2-[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-nitrophenyl)propanamide

Systemtic Name: 2-[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-nitrophenyl)propanamide Openeye Name: 2-[3-(3-chloro-4-fluoro-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-nitrophenyl)propanamide CAS Name: 2-[[3-(3-chloro-4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(2-nitrophenyl)propanamide IUPAC Name: 2-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-nitrophenyl)propanamide Traditional Name: 2-[[3-(3-chloro-4-fluoro-phenyl)-4-keto-quinazolin-2-yl]thio]-N-(2-nitrophenyl)propionamide Formula: C23H16ClFN4O4S MolecularWeight: 498.913943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])SC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])SC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C23H16ClFN4O4S/c1-13(21(30)26-19-8-4-5-9-20(19)29(32)33)34-23-27-18-7-3-2-6-15(18)22(31)28(23)14-10-11-17(25)16(24)12-14/h2-13H,1H3,(H,26,30)