[4-(3-pyridin-4-ylpropylsulfanyl)phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

Systemtic Name: [4-(3-pyridin-4-ylpropylsulfanyl)phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone Openeye Name: [4-[3-(4-pyridyl)propylsulfanyl]phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone CAS Name: [4-(3-pyridin-4-ylpropylthio)phenyl]-[(2S)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]methanone IUPAC Name: [4-(3-pyridin-4-ylpropylsulfanyl)phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone Traditional Name: [4-[3-(4-pyridyl)propylthio]phenyl]-[(2S)-2-(pyrrolidinomethyl)pyrrolidino]methanone Formula: C24H31N3OS MolecularWeight: 409.58744

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2CCCN2C(=O)C3=CC=C(C=C3)SCCCC4=CC=NC=C4

Isomeric SMILES

C1CCN(C1)C[C@@H]2CCCN2C(=O)C3=CC=C(C=C3)SCCCC4=CC=NC=C4

InChI

InChI=1S/C24H31N3OS/c28-24(27-17-3-6-22(27)19-26-15-1-2-16-26)21-7-9-23(10-8-21)29-18-4-5-20-11-13-25-14-12-20/h7-14,22H,1-6,15-19H2/t22-/m0/s1