[4-[3-(4-cyanophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]-4-oxidanylidene-butyl] nitrate

Systemtic Name: [4-[3-(4-cyanophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]-4-oxidanylidene-butyl] nitrate Openeye Name: [4-[3-(4-cyanophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]-4-oxo-butyl] nitrate CAS Name: nitric acid [4-[3-(4-cyanophenyl)-5-(4-methylsulfonylphenyl)-3-pyrazolyl]-4-oxobutyl] ester IUPAC Name: [4-[3-(4-cyanophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]-4-oxobutyl] nitrate Traditional Name: nitric acid [4-[3-(4-cyanophenyl)-5-(4-mesylphenyl)pyrazol-3-yl]-4-keto-butyl] ester Formula: C21H18N4O6S MolecularWeight: 454.45582

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(N=N2)(C3=CC=C(C=C3)C#N)C(=O)CCCO[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(N=N2)(C3=CC=C(C=C3)C#N)C(=O)CCCO[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O6S/c1-32(29,30)18-10-6-16(7-11-18)19-13-21(24-23-19,17-8-4-15(14-22)5-9-17)20(26)3-2-12-31-25(27)28/h4-11,13H,2-3,12H2,1H3