[2-(6-chloranylpyridazin-3-yl)-5-(3,4,5-trimethoxyphenyl)pyrazol-3-yl] methanesulfonate

Systemtic Name: [2-(6-chloranylpyridazin-3-yl)-5-(3,4,5-trimethoxyphenyl)pyrazol-3-yl] methanesulfonate Openeye Name: [2-(6-chloropyridazin-3-yl)-5-(3,4,5-trimethoxyphenyl)pyrazol-3-yl] methanesulfonate CAS Name: methanesulfonic acid [2-(6-chloro-3-pyridazinyl)-5-(3,4,5-trimethoxyphenyl)-3-pyrazolyl] ester IUPAC Name: [2-(6-chloropyridazin-3-yl)-5-(3,4,5-trimethoxyphenyl)pyrazol-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [2-(6-chloropyridazin-3-yl)-5-(3,4,5-trimethoxyphenyl)pyrazol-3-yl] ester Formula: C17H17ClN4O6S MolecularWeight: 440.85808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN4O6S/c1-25-12-7-10(8-13(26-2)17(12)27-3)11-9-16(28-29(4,23)24)22(21-11)15-6-5-14(18)19-20-15/h5-9H,1-4H3