1-(azepan-1-yl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[2-(4-methoxyphenyl)-6-imidazo[1,2-b]pyridazinyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]thio]ethanone Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CN3C(=N2)C=CC(=N3)SCC(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CN3C(=N2)C=CC(=N3)SCC(=O)N4CCCCCC4

InChI

InChI=1S/C21H24N4O2S/c1-27-17-8-6-16(7-9-17)18-14-25-19(22-18)10-11-20(23-25)28-15-21(26)24-12-4-2-3-5-13-24/h6-11,14H,2-5,12-13,15H2,1H3