N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-(5-tert-butyl-2-phenyl-3-pyrazolyl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(5-tert-butyl-2-phenylpyrazol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C24H29N5O3S2 MolecularWeight: 499.64876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C24H29N5O3S2/c1-24(2,3)20-15-21(29(27-20)18-9-5-4-6-10-18)26-22(30)17-33-23-12-11-19(16-25-23)34(31,32)28-13-7-8-14-28/h4-6,9-12,15-16H,7-8,13-14,17H2,1-3H3,(H,26,30)