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

Systemtic Name: 2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-methoxyphenyl)ethanone Openeye Name: 2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-methoxyphenyl)ethanone CAS Name: 2-[[6-(2,5-dimethoxyphenyl)-3-pyridazinyl]thio]-1-(4-methoxyphenyl)ethanone IUPAC Name: 2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-methoxyphenyl)ethanone Traditional Name: 2-[[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]thio]-1-(4-methoxyphenyl)ethanone Formula: C21H20N2O4S MolecularWeight: 396.4595

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=NN=C(C=C2)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=NN=C(C=C2)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C21H20N2O4S/c1-25-15-6-4-14(5-7-15)19(24)13-28-21-11-9-18(22-23-21)17-12-16(26-2)8-10-20(17)27-3/h4-12H,13H2,1-3H3