3-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanylmethyl]benzonitrile CAS Name: 3-[[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]methyl]benzonitrile IUPAC Name: 3-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(5-pyrrolidinosulfonyl-2-pyridyl)thio]methyl]benzonitrile Formula: C17H17N3O2S2 MolecularWeight: 359.46578

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H17N3O2S2/c18-11-14-4-3-5-15(10-14)13-23-17-7-6-16(12-19-17)24(21,22)20-8-1-2-9-20/h3-7,10,12H,1-2,8-9,13H2