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

Systemtic Name: [4-(3-pyridin-3-ylpropylsulfanyl)phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone Openeye Name: [4-[3-(3-pyridyl)propylsulfanyl]phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone CAS Name: [4-[3-(3-pyridinyl)propylthio]phenyl]-[(2S)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]methanone IUPAC Name: [4-(3-pyridin-3-ylpropylsulfanyl)phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone Traditional Name: [4-[3-(3-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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3OS/c28-24(27-16-4-8-22(27)19-26-14-1-2-15-26)21-9-11-23(12-10-21)29-17-5-7-20-6-3-13-25-18-20/h3,6,9-13,18,22H,1-2,4-5,7-8,14-17,19H2/t22-/m0/s1