(4-methylsulfanylphenyl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

Systemtic Name: (4-methylsulfanylphenyl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone Openeye Name: (4-methylsulfanylphenyl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone CAS Name: [4-(methylthio)phenyl]-[(2S)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]methanone IUPAC Name: (4-methylsulfanylphenyl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone Traditional Name: [4-(methylthio)phenyl]-[(2S)-2-(pyrrolidinomethyl)pyrrolidino]methanone Formula: C17H24N2OS MolecularWeight: 304.45026

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)N2CCCC2CN3CCCC3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)N2CCC[C@H]2CN3CCCC3

InChI

InChI=1S/C17H24N2OS/c1-21-16-8-6-14(7-9-16)17(20)19-12-4-5-15(19)13-18-10-2-3-11-18/h6-9,15H,2-5,10-13H2,1H3/t15-/m0/s1