[(4E)-4-[2-(4-cyanophenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazol-5-ylidene]-4-nitroso-butyl] nitrate

Systemtic Name: [(4E)-4-[2-(4-cyanophenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazol-5-ylidene]-4-nitroso-butyl] nitrate Openeye Name: [(4E)-4-[2-(4-cyanophenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazol-5-ylidene]-4-nitroso-butyl] nitrate CAS Name: nitric acid [(4E)-4-[2-(4-cyanophenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazol-5-ylidene]-4-nitrosobutyl] ester IUPAC Name: [(4E)-4-[2-(4-cyanophenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazol-5-ylidene]-4-nitrosobutyl] nitrate Traditional Name: nitric acid [(4E)-4-[1-(4-cyanophenyl)-5-(4-mesylphenyl)-3-pyrazolin-3-ylidene]-4-nitroso-butyl] ester Formula: C21H19N5O6S MolecularWeight: 469.47046

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=C(CCCO[N+](=O)[O-])N=O)NN2C3=CC=C(C=C3)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C/C(=C(/CCCO[N+](=O)[O-])\N=O)/NN2C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H19N5O6S/c1-33(30,31)18-10-6-16(7-11-18)21-13-20(19(24-27)3-2-12-32-26(28)29)23-25(21)17-8-4-15(14-22)5-9-17/h4-11,13,23H,2-3,12H2,1H3/b20-19+