(2S)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide

Systemtic Name: (2S)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: (2S)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: (2S)-2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: (2S)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: (2S)-2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C24H19FN4O4S MolecularWeight: 478.495463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H19FN4O4S/c1-14(23(30)26-20-13-17(29(31)32)11-12-21(20)33-2)34-24-19-6-4-3-5-18(19)22(27-28-24)15-7-9-16(25)10-8-15/h3-14H,1-2H3,(H,26,30)/t14-/m0/s1