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

Systemtic Name: benzenesulfonic acid; 5-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzene-1,3-dicarbonitrile Openeye Name: benzenesulfonic acid; 5-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzene-1,3-dicarbonitrile CAS Name: benzenesulfonic acid; 5-[[3,5-diethyl-1-(2-hydroxyethyl)-4-pyrazolyl]oxy]benzene-1,3-dicarbonitrile IUPAC Name: benzenesulfonic acid; 5-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzene-1,3-dicarbonitrile Traditional Name: besylic acid; 5-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxyisophthalonitrile Formula: C23H24N4O5S MolecularWeight: 468.52546

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1CCO)CC)OC2=CC(=CC(=C2)C#N)C#N.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCC1=C(C(=NN1CCO)CC)OC2=CC(=CC(=C2)C#N)C#N.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C17H18N4O2.C6H6O3S/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;7-10(8,9)6-4-2-1-3-5-6/h7-9,22H,3-6H2,1-2H3;1-5H,(H,7,8,9)