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

Systemtic Name: 2-[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methyl-4-nitro-phenyl)propanamide Openeye Name: 2-[3-(3-fluoro-4-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-methyl-4-nitro-phenyl)propanamide CAS Name: 2-[[3-(3-fluoro-4-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(2-methyl-4-nitrophenyl)propanamide IUPAC Name: 2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methyl-4-nitrophenyl)propanamide Traditional Name: 2-[[3-(3-fluoro-4-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]-N-(2-methyl-4-nitro-phenyl)propionamide Formula: C25H21FN4O4S MolecularWeight: 492.522043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])C)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])C)F

InChI

InChI=1S/C25H21FN4O4S/c1-14-8-9-17(13-20(14)26)29-24(32)19-6-4-5-7-22(19)28-25(29)35-16(3)23(31)27-21-11-10-18(30(33)34)12-15(21)2/h4-13,16H,1-3H3,(H,27,31)