[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(phenylmethylsulfanyl)pyridin-3-yl]methanone

Systemtic Name: [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(phenylmethylsulfanyl)pyridin-3-yl]methanone Openeye Name: (6-benzylsulfanyl-3-pyridyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone CAS Name: [(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-[6-(phenylmethylthio)-3-pyridinyl]methanone IUPAC Name: (6-benzylsulfanylpyridin-3-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone Traditional Name: [6-(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=CN=C(C=C2)SCC3=CC=CC=C3)CO

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O2S/c21-12-16-7-4-10-20(16)18(22)15-8-9-17(19-11-15)23-13-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,16,21H,4,7,10,12-13H2/t16-/m0/s1