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

Systemtic Name: 5-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzene-1,3-dicarbonitrile; 4-methylbenzenesulfonate Openeye Name: 5-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzene-1,3-dicarbonitrile; 4-methylbenzenesulfonate CAS Name: 5-[[3,5-diethyl-1-(2-hydroxyethyl)-4-pyrazolyl]oxy]benzene-1,3-dicarbonitrile; 4-methylbenzenesulfonate IUPAC Name: 5-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzene-1,3-dicarbonitrile; 4-methylbenzenesulfonate Traditional Name: 5-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxyisophthalonitrile tosylate Formula: C24H25N4O5S- MolecularWeight: 481.5441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1CCO)CC)OC2=CC(=CC(=C2)C#N)C#N.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCC1=C(C(=NN1CCO)CC)OC2=CC(=CC(=C2)C#N)C#N.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C17H18N4O2.C7H8O3S/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;1-6-2-4-7(5-3-6)11(8,9)10/h7-9,22H,3-6H2,1-2H3;2-5H,1H3,(H,8,9,10)/p-1