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

Systemtic Name: 1-(azepan-1-yl)-2-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[6-(2,4-dimethoxyphenyl)-3-pyridazinyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]thio]ethanone Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NN=C(C=C2)SCC(=O)N3CCCCCC3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NN=C(C=C2)SCC(=O)N3CCCCCC3)OC

InChI

InChI=1S/C20H25N3O3S/c1-25-15-7-8-16(18(13-15)26-2)17-9-10-19(22-21-17)27-14-20(24)23-11-5-3-4-6-12-23/h7-10,13H,3-6,11-12,14H2,1-2H3