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

Systemtic Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(2-methoxy-5-nitro-phenyl)ethanamide Openeye Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(2-methoxy-5-nitro-phenyl)acetamide CAS Name: 2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]-N-(2-methoxy-5-nitrophenyl)acetamide IUPAC Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(2-methoxy-5-nitrophenyl)acetamide Traditional Name: 2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]-N-(2-methoxy-5-nitro-phenyl)acetamide Formula: C23H17FN4O4S MolecularWeight: 464.468883

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H17FN4O4S/c1-32-20-11-10-16(28(30)31)12-19(20)25-21(29)13-33-23-18-5-3-2-4-17(18)22(26-27-23)14-6-8-15(24)9-7-14/h2-12H,13H2,1H3,(H,25,29)