1-(4-methoxyphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-ethanone

Systemtic Name: 1-(4-methoxyphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-ethanone Openeye Name: 1-(4-methoxyphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-ethanone CAS Name: 1-(4-methoxyphenyl)-2-[[6-[4-(1-pyrazolyl)phenyl]-3-pyridazinyl]thio]ethanone IUPAC Name: 1-(4-methoxyphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylethanone Traditional Name: 1-(4-methoxyphenyl)-2-[[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]thio]ethanone Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C22H18N4O2S/c1-28-19-9-5-17(6-10-19)21(27)15-29-22-12-11-20(24-25-22)16-3-7-18(8-4-16)26-14-2-13-23-26/h2-14H,15H2,1H3