[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(phenylmethylsulfanyl)pyridin-3-yl]methanone

Systemtic Name: [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(phenylmethylsulfanyl)pyridin-3-yl]methanone Openeye Name: (2-benzylsulfanyl-3-pyridyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone CAS Name: [(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-[2-(phenylmethylthio)-3-pyridinyl]methanone IUPAC Name: (2-benzylsulfanylpyridin-3-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone Traditional Name: [2-(benzylthio)-3-pyridyl]-[(2S)-2-methylolpyrrolidino]methanone Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=C(N=CC=C2)SCC3=CC=CC=C3)CO

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=C(N=CC=C2)SCC3=CC=CC=C3)CO

InChI

InChI=1S/C18H20N2O2S/c21-12-15-8-5-11-20(15)18(22)16-9-4-10-19-17(16)23-13-14-6-2-1-3-7-14/h1-4,6-7,9-10,15,21H,5,8,11-13H2/t15-/m0/s1