1-[2-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonylpyrazolidin-1-yl]-2-(3,4-dimethoxyphenyl)sulfanyl-ethanone

Systemtic Name: 1-[2-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonylpyrazolidin-1-yl]-2-(3,4-dimethoxyphenyl)sulfanyl-ethanone Openeye Name: 1-[2-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)pyrazolidin-1-yl]-2-(3,4-dimethoxyphenyl)sulfanyl-ethanone CAS Name: 1-[2-[(5-tert-butyl-2-methyl-3-pyrazolyl)-oxomethyl]-1-pyrazolidinyl]-2-[(3,4-dimethoxyphenyl)thio]ethanone IUPAC Name: 1-[2-(5-tert-butyl-2-methylpyrazole-3-carbonyl)pyrazolidin-1-yl]-2-(3,4-dimethoxyphenyl)sulfanylethanone Traditional Name: 1-[2-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)pyrazolidin-1-yl]-2-[(3,4-dimethoxyphenyl)thio]ethanone Formula: C22H30N4O4S MolecularWeight: 446.563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN2C(=O)CSC3=CC(=C(C=C3)OC)OC)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN2C(=O)CSC3=CC(=C(C=C3)OC)OC)C

InChI

InChI=1S/C22H30N4O4S/c1-22(2,3)19-13-16(24(4)23-19)21(28)26-11-7-10-25(26)20(27)14-31-15-8-9-17(29-5)18(12-15)30-6/h8-9,12-13H,7,10-11,14H2,1-6H3