4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylbutanenitrile

Systemtic Name: 4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylbutanenitrile Openeye Name: 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]butanenitrile CAS Name: 4-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]butanenitrile IUPAC Name: 4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylbutanenitrile Traditional Name: 4-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]butyronitrile Formula: C13H17N3O2S2 MolecularWeight: 311.42298

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCCCC#N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCCCC#N

InChI

InChI=1S/C13H17N3O2S2/c14-7-1-4-10-19-13-6-5-12(11-15-13)20(17,18)16-8-2-3-9-16/h5-6,11H,1-4,8-10H2