2-[2,6-bis(trifluoromethyl)quinolin-4-yl]sulfanylethanamine

Systemtic Name: 2-[2,6-bis(trifluoromethyl)quinolin-4-yl]sulfanylethanamine Openeye Name: 2-[[2,6-bis(trifluoromethyl)-4-quinolyl]sulfanyl]ethanamine CAS Name: 2-[[2,6-bis(trifluoromethyl)-4-quinolinyl]thio]ethanamine IUPAC Name: 2-[2,6-bis(trifluoromethyl)quinolin-4-yl]sulfanylethanamine Traditional Name: 2-[[2,6-bis(trifluoromethyl)-4-quinolyl]thio]ethylamine Formula: C13H10F6N2S MolecularWeight: 340.287319

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(F)(F)F)C(=CC(=N2)C(F)(F)F)SCCN

Isomeric SMILES

C1=CC2=C(C=C1C(F)(F)F)C(=CC(=N2)C(F)(F)F)SCCN

InChI

InChI=1S/C13H10F6N2S/c14-12(15,16)7-1-2-9-8(5-7)10(22-4-3-20)6-11(21-9)13(17,18)19/h1-2,5-6H,3-4,20H2