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

Systemtic Name: 2-[6-(2,5-dimethylphenyl)pyridazin-3-yl]sulfanyl-1-(4-methoxyphenyl)ethanone Openeye Name: 2-[6-(2,5-dimethylphenyl)pyridazin-3-yl]sulfanyl-1-(4-methoxyphenyl)ethanone CAS Name: 2-[[6-(2,5-dimethylphenyl)-3-pyridazinyl]thio]-1-(4-methoxyphenyl)ethanone IUPAC Name: 2-[6-(2,5-dimethylphenyl)pyridazin-3-yl]sulfanyl-1-(4-methoxyphenyl)ethanone Traditional Name: 2-[[6-(2,5-dimethylphenyl)pyridazin-3-yl]thio]-1-(4-methoxyphenyl)ethanone Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NN=C(C=C2)SCC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN=C(C=C2)SCC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H20N2O2S/c1-14-4-5-15(2)18(12-14)19-10-11-21(23-22-19)26-13-20(24)16-6-8-17(25-3)9-7-16/h4-12H,13H2,1-3H3