N-(4-fluoranyl-3-nitro-phenyl)-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-fluoranyl-3-nitro-phenyl)-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-(4-fluoro-3-nitro-phenyl)-2-[6-[4-(1-piperidyl)phenyl]pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(4-fluoro-3-nitrophenyl)-2-[[6-[4-(1-piperidinyl)phenyl]-3-pyridazinyl]thio]acetamide IUPAC Name: N-(4-fluoro-3-nitrophenyl)-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-(4-fluoro-3-nitro-phenyl)-2-[[6-(4-piperidinophenyl)pyridazin-3-yl]thio]acetamide Formula: C23H22FN5O3S MolecularWeight: 467.515883

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)C3=NN=C(C=C3)SCC(=O)NC4=CC(=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)C3=NN=C(C=C3)SCC(=O)NC4=CC(=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C23H22FN5O3S/c24-19-9-6-17(14-21(19)29(31)32)25-22(30)15-33-23-11-10-20(26-27-23)16-4-7-18(8-5-16)28-12-2-1-3-13-28/h4-11,14H,1-3,12-13,15H2,(H,25,30)