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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C21H27N3O4S/c1-14-7-9-24(10-8-14)20(25)13-29-19-6-5-16(22-23-19)15-11-17(26-2)21(28-4)18(12-15)27-3/h5-6,11-12,14H,7-10,13H2,1-4H3