azepan-1-yl-[6-[[3-(trifluoromethyloxy)phenyl]sulfanylmethyl]pyridin-2-yl]methanone

Systemtic Name: azepan-1-yl-[6-[[3-(trifluoromethyloxy)phenyl]sulfanylmethyl]pyridin-2-yl]methanone Openeye Name: azepan-1-yl-[6-[[3-(trifluoromethoxy)phenyl]sulfanylmethyl]-2-pyridyl]methanone CAS Name: 1-azepanyl-[6-[[[3-(trifluoromethoxy)phenyl]thio]methyl]-2-pyridinyl]methanone IUPAC Name: azepan-1-yl-[6-[[3-(trifluoromethoxy)phenyl]sulfanylmethyl]pyridin-2-yl]methanone Traditional Name: azepan-1-yl-[6-[[[3-(trifluoromethoxy)phenyl]thio]methyl]-2-pyridyl]methanone Formula: C20H21F3N2O2S MolecularWeight: 410.45315

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=NC(=CC=C2)CSC3=CC=CC(=C3)OC(F)(F)F

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=NC(=CC=C2)CSC3=CC=CC(=C3)OC(F)(F)F

InChI

InChI=1S/C20H21F3N2O2S/c21-20(22,23)27-16-8-6-9-17(13-16)28-14-15-7-5-10-18(24-15)19(26)25-11-3-1-2-4-12-25/h5-10,13H,1-4,11-12,14H2