4-[(4E)-3-cyano-4-[1-[5-cyano-3-oxidanylidene-2-(phenylsulfonyloxy)-1H-pyrazol-4-yl]pentan-3-ylidene]-5-oxidanylidene-pyrazol-1-yl]benzenesulfonate

Systemtic Name: 4-[(4E)-3-cyano-4-[1-[5-cyano-3-oxidanylidene-2-(phenylsulfonyloxy)-1H-pyrazol-4-yl]pentan-3-ylidene]-5-oxidanylidene-pyrazol-1-yl]benzenesulfonate Openeye Name: 4-[(4E)-4-[3-[2-(benzenesulfonyloxy)-5-cyano-3-oxo-1H-pyrazol-4-yl]-1-ethyl-propylidene]-3-cyano-5-oxo-pyrazol-1-yl]benzenesulfonate CAS Name: 4-[(4E)-4-[1-[2-(benzenesulfonyloxy)-5-cyano-3-oxo-1H-pyrazol-4-yl]pentan-3-ylidene]-3-cyano-5-oxo-1-pyrazolyl]benzenesulfonate IUPAC Name: 4-[(4E)-4-[1-[2-(benzenesulfonyloxy)-5-cyano-3-oxo-1H-pyrazol-4-yl]pentan-3-ylidene]-3-cyano-5-oxopyrazol-1-yl]benzenesulfonate Traditional Name: 4-[(4E)-4-[3-(1-besyloxy-3-cyano-5-keto-3-pyrazolin-4-yl)-1-ethyl-propylidene]-3-cyano-5-keto-2-pyrazolin-1-yl]besylate Formula: C25H19N6O8S2- MolecularWeight: 595.58376

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=NN(C1=O)C2=CC=C(C=C2)S(=O)(=O)[O-])C#N)CCC3=C(NN(C3=O)OS(=O)(=O)C4=CC=CC=C4)C#N

Isomeric SMILES

CC/C(=C\1/C(=NN(C1=O)C2=CC=C(C=C2)S(=O)(=O)[O-])C#N)/CCC3=C(NN(C3=O)OS(=O)(=O)C4=CC=CC=C4)C#N

InChI

InChI=1S/C25H20N6O8S2/c1-2-16(23-22(15-27)28-30(25(23)33)17-9-11-18(12-10-17)40(34,35)36)8-13-20-21(14-26)29-31(24(20)32)39-41(37,38)19-6-4-3-5-7-19/h3-7,9-12,29H,2,8,13H2,1H3,(H,34,35,36)/p-1/b23-16+