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

Systemtic Name: 1-(4-chlorophenyl)-2-[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]sulfanyl-ethanone Openeye Name: 1-(4-chlorophenyl)-2-[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]sulfanyl-ethanone CAS Name: 1-(4-chlorophenyl)-2-[[6-(3,4,5-trimethoxyphenyl)-3-pyridazinyl]thio]ethanone IUPAC Name: 1-(4-chlorophenyl)-2-[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]sulfanylethanone Traditional Name: 1-(4-chlorophenyl)-2-[[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]thio]ethanone Formula: C21H19ClN2O4S MolecularWeight: 430.90456

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(C=C2)SCC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(C=C2)SCC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H19ClN2O4S/c1-26-18-10-14(11-19(27-2)21(18)28-3)16-8-9-20(24-23-16)29-12-17(25)13-4-6-15(22)7-5-13/h4-11H,12H2,1-3H3