4-[3-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]carbonylpyridin-2-yl]sulfanylbutanenitrile

Systemtic Name: 4-[3-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]carbonylpyridin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[[3-[2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carbonyl]-2-pyridyl]sulfanyl]butanenitrile CAS Name: 4-[[3-[[2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinyl]-oxomethyl]-2-pyridinyl]thio]butanenitrile IUPAC Name: 4-[3-[2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carbonyl]pyridin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[3-[2-(2-mesylbenzoyl)pyrazolidine-1-carbonyl]-2-pyridyl]thio]butyronitrile Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)N2CCCN2C(=O)C3=C(N=CC=C3)SCCCC#N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)N2CCCN2C(=O)C3=C(N=CC=C3)SCCCC#N

InChI

InChI=1S/C21H22N4O4S2/c1-31(28,29)18-10-3-2-8-16(18)20(26)24-13-7-14-25(24)21(27)17-9-6-12-23-19(17)30-15-5-4-11-22/h2-3,6,8-10,12H,4-5,7,13-15H2,1H3