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

Systemtic Name: 2-[6-bromanyl-2-(trifluoromethyl)quinolin-4-yl]sulfanylethanamine Openeye Name: 2-[[6-bromo-2-(trifluoromethyl)-4-quinolyl]sulfanyl]ethanamine CAS Name: 2-[[6-bromo-2-(trifluoromethyl)-4-quinolinyl]thio]ethanamine IUPAC Name: 2-[6-bromo-2-(trifluoromethyl)quinolin-4-yl]sulfanylethanamine Traditional Name: 2-[[6-bromo-2-(trifluoromethyl)-4-quinolyl]thio]ethylamine Formula: C12H10BrF3N2S MolecularWeight: 351.18541

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(=CC(=N2)C(F)(F)F)SCCN

Isomeric SMILES

C1=CC2=C(C=C1Br)C(=CC(=N2)C(F)(F)F)SCCN

InChI

InChI=1S/C12H10BrF3N2S/c13-7-1-2-9-8(5-7)10(19-4-3-17)6-11(18-9)12(14,15)16/h1-2,5-6H,3-4,17H2