2-[2-[2-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonylpyrazolidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-N-pyridin-2-yl-ethanamide

Systemtic Name: 2-[2-[2-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonylpyrazolidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-N-pyridin-2-yl-ethanamide Openeye Name: 2-[2-[2-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)pyrazolidin-1-yl]-2-oxo-ethyl]sulfanyl-N-(2-pyridyl)acetamide CAS Name: 2-[[2-[2-[(5-tert-butyl-2-methyl-3-pyrazolyl)-oxomethyl]-1-pyrazolidinyl]-2-oxoethyl]thio]-N-(2-pyridinyl)acetamide IUPAC Name: 2-[2-[2-(5-tert-butyl-2-methylpyrazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]sulfanyl-N-pyridin-2-ylacetamide Traditional Name: 2-[[2-[2-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)pyrazolidin-1-yl]-2-keto-ethyl]thio]-N-(2-pyridyl)acetamide Formula: C21H28N6O3S MolecularWeight: 444.55042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN2C(=O)CSCC(=O)NC3=CC=CC=N3)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN2C(=O)CSCC(=O)NC3=CC=CC=N3)C

InChI

InChI=1S/C21H28N6O3S/c1-21(2,3)16-12-15(25(4)24-16)20(30)27-11-7-10-26(27)19(29)14-31-13-18(28)23-17-8-5-6-9-22-17/h5-6,8-9,12H,7,10-11,13-14H2,1-4H3,(H,22,23,28)