2-[3-[4-(trifluoromethyl)quinolin-2-yl]oxypropylamino]ethanethiol

Systemtic Name: 2-[3-[4-(trifluoromethyl)quinolin-2-yl]oxypropylamino]ethanethiol Openeye Name: 2-[3-[[4-(trifluoromethyl)-2-quinolyl]oxy]propylamino]ethanethiol CAS Name: 2-[3-[[4-(trifluoromethyl)-2-quinolinyl]oxy]propylamino]ethanethiol IUPAC Name: 2-[3-[4-(trifluoromethyl)quinolin-2-yl]oxypropylamino]ethanethiol Traditional Name: 2-[3-[[4-(trifluoromethyl)-2-quinolyl]oxy]propylamino]ethanethiol Formula: C15H17F3N2OS MolecularWeight: 330.36849

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)OCCCNCCS)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)OCCCNCCS)C(F)(F)F

InChI

InChI=1S/C15H17F3N2OS/c16-15(17,18)12-10-14(21-8-3-6-19-7-9-22)20-13-5-2-1-4-11(12)13/h1-2,4-5,10,19,22H,3,6-9H2