2-[4-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[(5-pyrrolidinosulfonyl-2-pyridyl)thio]methyl]phenyl]benzonitrile Formula: C23H21N3O2S2 MolecularWeight: 435.56174

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C23H21N3O2S2/c24-15-20-5-1-2-6-22(20)19-9-7-18(8-10-19)17-29-23-12-11-21(16-25-23)30(27,28)26-13-3-4-14-26/h1-2,5-12,16H,3-4,13-14,17H2