[5-(phenylmethylsulfanyl)pyridin-2-yl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: [5-(phenylmethylsulfanyl)pyridin-2-yl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: (5-benzylsulfanyl-2-pyridyl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone; 2,2,2-trifluoroacetic acid CAS Name: [5-(phenylmethylthio)-2-pyridinyl]-[(2S)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]methanone; 2,2,2-trifluoroacetic acid IUPAC Name: (5-benzylsulfanylpyridin-2-yl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone; 2,2,2-trifluoroacetic acid Traditional Name: [5-(benzylthio)-2-pyridyl]-[(2S)-2-(pyrrolidinomethyl)pyrrolidino]methanone; 2,2,2-trifluoroacetic acid Formula: C26H29F6N3O5S MolecularWeight: 609.580979

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3OS.2C2HF3O2/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;2*3-2(4,5)1(6)7/h1-3,7-8,10-11,15,19H,4-6,9,12-14,16-17H2;2*(H,6,7)/t19-;;/m0../s1