1-[2-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonylpyrazolidin-1-yl]-2-[2-(phenylsulfonyl)ethylsulfanyl]ethanone

Systemtic Name: 1-[2-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonylpyrazolidin-1-yl]-2-[2-(phenylsulfonyl)ethylsulfanyl]ethanone Openeye Name: 2-[2-(benzenesulfonyl)ethylsulfanyl]-1-[2-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)pyrazolidin-1-yl]ethanone CAS Name: 2-[2-(benzenesulfonyl)ethylthio]-1-[2-[(5-tert-butyl-2-methyl-3-pyrazolyl)-oxomethyl]-1-pyrazolidinyl]ethanone IUPAC Name: 2-[2-(benzenesulfonyl)ethylsulfanyl]-1-[2-(5-tert-butyl-2-methylpyrazole-3-carbonyl)pyrazolidin-1-yl]ethanone Traditional Name: 2-(2-besylethylthio)-1-[2-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)pyrazolidin-1-yl]ethanone Formula: C22H30N4O4S2 MolecularWeight: 478.628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN2C(=O)CSCCS(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN2C(=O)CSCCS(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C22H30N4O4S2/c1-22(2,3)19-15-18(24(4)23-19)21(28)26-12-8-11-25(26)20(27)16-31-13-14-32(29,30)17-9-6-5-7-10-17/h5-7,9-10,15H,8,11-14,16H2,1-4H3