1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]ethanone CAS Name: 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylethanone Traditional Name: 1-(3-phenyl-2-pyrazolin-1-yl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]ethanone Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N3CCC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N3CCC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C20H22N4O3S2/c25-20(24-13-10-18(22-24)16-6-2-1-3-7-16)15-28-19-9-8-17(14-21-19)29(26,27)23-11-4-5-12-23/h1-3,6-9,14H,4-5,10-13,15H2