[2-(6-chloranylpyridazin-3-yl)-5-ethyl-4-(1-methylsulfonyl-4H-pyridin-4-yl)pyrazol-3-yl] methanesulfonate

Systemtic Name: [2-(6-chloranylpyridazin-3-yl)-5-ethyl-4-(1-methylsulfonyl-4H-pyridin-4-yl)pyrazol-3-yl] methanesulfonate Openeye Name: [2-(6-chloropyridazin-3-yl)-5-ethyl-4-(1-methylsulfonyl-4H-pyridin-4-yl)pyrazol-3-yl] methanesulfonate CAS Name: methanesulfonic acid [2-(6-chloro-3-pyridazinyl)-5-ethyl-4-(1-methylsulfonyl-4H-pyridin-4-yl)-3-pyrazolyl] ester IUPAC Name: [2-(6-chloropyridazin-3-yl)-5-ethyl-4-(1-methylsulfonyl-4H-pyridin-4-yl)pyrazol-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [2-(6-chloropyridazin-3-yl)-5-ethyl-4-(1-mesyl-4H-pyridin-4-yl)pyrazol-3-yl] ester Formula: C16H18ClN5O5S2 MolecularWeight: 459.92762

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1C2C=CN(C=C2)S(=O)(=O)C)OS(=O)(=O)C)C3=NN=C(C=C3)Cl

Isomeric SMILES

CCC1=NN(C(=C1C2C=CN(C=C2)S(=O)(=O)C)OS(=O)(=O)C)C3=NN=C(C=C3)Cl

InChI

InChI=1S/C16H18ClN5O5S2/c1-4-12-15(11-7-9-21(10-8-11)28(2,23)24)16(27-29(3,25)26)22(20-12)14-6-5-13(17)18-19-14/h5-11H,4H2,1-3H3