4-[3-[2-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonylpyrazolidin-1-yl]carbonylpyridin-2-yl]sulfanylbutanenitrile

Systemtic Name: 4-[3-[2-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonylpyrazolidin-1-yl]carbonylpyridin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[[3-[2-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)pyrazolidine-1-carbonyl]-2-pyridyl]sulfanyl]butanenitrile CAS Name: 4-[[3-[[2-[(5-tert-butyl-2-methyl-3-pyrazolyl)-oxomethyl]-1-pyrazolidinyl]-oxomethyl]-2-pyridinyl]thio]butanenitrile IUPAC Name: 4-[3-[2-(5-tert-butyl-2-methylpyrazole-3-carbonyl)pyrazolidine-1-carbonyl]pyridin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[3-[2-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)pyrazolidine-1-carbonyl]-2-pyridyl]thio]butyronitrile Formula: C22H28N6O2S MolecularWeight: 440.56172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN2C(=O)C3=C(N=CC=C3)SCCCC#N)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN2C(=O)C3=C(N=CC=C3)SCCCC#N)C

InChI

InChI=1S/C22H28N6O2S/c1-22(2,3)18-15-17(26(4)25-18)21(30)28-13-8-12-27(28)20(29)16-9-7-11-24-19(16)31-14-6-5-10-23/h7,9,11,15H,5-6,8,12-14H2,1-4H3