[1-[1,1-bis(oxidanylidene)thian-4-yl]-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methyl nitrate

Systemtic Name: [1-[1,1-bis(oxidanylidene)thian-4-yl]-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methyl nitrate Openeye Name: [1-(1,1-dioxothian-4-yl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methyl nitrate CAS Name: nitric acid [1-(1,1-dioxo-4-thianyl)-5-(4-methylsulfonylphenyl)-3-pyrazolyl]methyl ester IUPAC Name: [1-(1,1-dioxothian-4-yl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methyl nitrate Traditional Name: nitric acid [1-(1,1-diketothian-4-yl)-5-(4-mesylphenyl)pyrazol-3-yl]methyl ester Formula: C16H19N3O7S2 MolecularWeight: 429.46796

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3CCS(=O)(=O)CC3)CO[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3CCS(=O)(=O)CC3)CO[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O7S2/c1-27(22,23)15-4-2-12(3-5-15)16-10-13(11-26-19(20)21)17-18(16)14-6-8-28(24,25)9-7-14/h2-5,10,14H,6-9,11H2,1H3