5-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzene-1,3-dicarbonitrile; methanesulfonate

Systemtic Name: 5-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzene-1,3-dicarbonitrile; methanesulfonate Openeye Name: 5-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzene-1,3-dicarbonitrile; methanesulfonate CAS Name: 5-[[3,5-diethyl-1-(2-hydroxyethyl)-4-pyrazolyl]oxy]benzene-1,3-dicarbonitrile; methanesulfonate IUPAC Name: 5-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzene-1,3-dicarbonitrile; methanesulfonate Traditional Name: 5-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxyisophthalonitrile mesylate Formula: C18H21N4O5S- MolecularWeight: 405.44814

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1CCO)CC)OC2=CC(=CC(=C2)C#N)C#N.CS(=O)(=O)[O-]

Isomeric SMILES

CCC1=C(C(=NN1CCO)CC)OC2=CC(=CC(=C2)C#N)C#N.CS(=O)(=O)[O-]

InChI

InChI=1S/C17H18N4O2.CH4O3S/c1-3-15-17(16(4-2)21(20-15)5-6-22)23-14-8-12(10-18)7-13(9-14)11-19;1-5(2,3)4/h7-9,22H,3-6H2,1-2H3;1H3,(H,2,3,4)/p-1