1-piperidin-1-yl-2-[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]sulfanyl-ethanone

Systemtic Name: 1-piperidin-1-yl-2-[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]sulfanyl-ethanone Openeye Name: 1-(1-piperidyl)-2-[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]sulfanyl-ethanone CAS Name: 1-(1-piperidinyl)-2-[[6-(3,4,5-trimethoxyphenyl)-3-pyridazinyl]thio]ethanone IUPAC Name: 1-piperidin-1-yl-2-[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]sulfanylethanone Traditional Name: 1-piperidino-2-[[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]thio]ethanone Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(C=C2)SCC(=O)N3CCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(C=C2)SCC(=O)N3CCCCC3

InChI

InChI=1S/C20H25N3O4S/c1-25-16-11-14(12-17(26-2)20(16)27-3)15-7-8-18(22-21-15)28-13-19(24)23-9-5-4-6-10-23/h7-8,11-12H,4-6,9-10,13H2,1-3H3