[4-[4-(furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)pyrazol-3-yl] hydrogen carbonate

Systemtic Name: [4-[4-(furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)pyrazol-3-yl] hydrogen carbonate Openeye Name: [4-[4-(2-furyl)phenyl]-1-(4-methylsulfonylphenyl)pyrazol-3-yl] hydrogen carbonate CAS Name: carbonic acid [4-[4-(2-furanyl)phenyl]-1-(4-methylsulfonylphenyl)-3-pyrazolyl] ester IUPAC Name: [4-[4-(furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)pyrazol-3-yl] hydrogen carbonate Traditional Name: carbonic acid [4-[4-(2-furyl)phenyl]-1-(4-mesylphenyl)pyrazol-3-yl] ester Formula: C21H16N2O6S MolecularWeight: 424.42654

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N2C=C(C(=N2)OC(=O)O)C3=CC=C(C=C3)C4=CC=CO4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2C=C(C(=N2)OC(=O)O)C3=CC=C(C=C3)C4=CC=CO4

InChI

InChI=1S/C21H16N2O6S/c1-30(26,27)17-10-8-16(9-11-17)23-13-18(20(22-23)29-21(24)25)14-4-6-15(7-5-14)19-3-2-12-28-19/h2-13H,1H3,(H,24,25)