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

Systemtic Name: 1-(azepan-1-yl)-2-[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[6-(3,4,5-trimethoxyphenyl)-3-pyridazinyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]thio]ethanone Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(C=C2)SCC(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(C=C2)SCC(=O)N3CCCCCC3

InChI

InChI=1S/C21H27N3O4S/c1-26-17-12-15(13-18(27-2)21(17)28-3)16-8-9-19(23-22-16)29-14-20(25)24-10-6-4-5-7-11-24/h8-9,12-13H,4-7,10-11,14H2,1-3H3