[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-[6-[4-(trifluoromethyloxy)phenyl]sulfanylpyridin-3-yl]methanone

Systemtic Name: [(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-[6-[4-(trifluoromethyloxy)phenyl]sulfanylpyridin-3-yl]methanone Openeye Name: [(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-[6-[4-(trifluoromethoxy)phenyl]sulfanyl-3-pyridyl]methanone CAS Name: [(2S)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]-[6-[[4-(trifluoromethoxy)phenyl]thio]-3-pyridinyl]methanone IUPAC Name: [(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-[6-[4-(trifluoromethoxy)phenyl]sulfanylpyridin-3-yl]methanone Traditional Name: [(2S)-2-(pyrrolidinomethyl)pyrrolidino]-[6-[[4-(trifluoromethoxy)phenyl]thio]-3-pyridyl]methanone Formula: C22H24F3N3O2S MolecularWeight: 451.50507

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2CCCN2C(=O)C3=CN=C(C=C3)SC4=CC=C(C=C4)OC(F)(F)F

Isomeric SMILES

C1CCN(C1)C[C@@H]2CCCN2C(=O)C3=CN=C(C=C3)SC4=CC=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C22H24F3N3O2S/c23-22(24,25)30-18-6-8-19(9-7-18)31-20-10-5-16(14-26-20)21(29)28-13-3-4-17(28)15-27-11-1-2-12-27/h5-10,14,17H,1-4,11-13,15H2/t17-/m0/s1