[5-(phenylmethylsulfanyl)pyridin-2-yl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

Systemtic Name: [5-(phenylmethylsulfanyl)pyridin-2-yl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone Openeye Name: (5-benzylsulfanyl-2-pyridyl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone CAS Name: [5-(phenylmethylthio)-2-pyridinyl]-[(2S)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]methanone IUPAC Name: (5-benzylsulfanylpyridin-2-yl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone Traditional Name: [5-(benzylthio)-2-pyridyl]-[(2S)-2-(pyrrolidinomethyl)pyrrolidino]methanone Formula: C22H27N3OS MolecularWeight: 381.53428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2CCCN2C(=O)C3=NC=C(C=C3)SCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C[C@@H]2CCCN2C(=O)C3=NC=C(C=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C22H27N3OS/c26-22(25-14-6-9-19(25)16-24-12-4-5-13-24)21-11-10-20(15-23-21)27-17-18-7-2-1-3-8-18/h1-3,7-8,10-11,15,19H,4-6,9,12-14,16-17H2/t19-/m0/s1