N-(4-fluoranyl-3-nitro-phenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-fluoranyl-3-nitro-phenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanamide Openeye Name: N-(4-fluoro-3-nitro-phenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-acetamide CAS Name: N-(4-fluoro-3-nitrophenyl)-2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]acetamide IUPAC Name: N-(4-fluoro-3-nitrophenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide Traditional Name: N-(4-fluoro-3-nitro-phenyl)-2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]acetamide Formula: C22H14F2N4O3S MolecularWeight: 452.433366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2SCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2SCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])C4=CC=C(C=C4)F

InChI

InChI=1S/C22H14F2N4O3S/c23-14-7-5-13(6-8-14)21-16-3-1-2-4-17(16)22(27-26-21)32-12-20(29)25-15-9-10-18(24)19(11-15)28(30)31/h1-11H,12H2,(H,25,29)