2-isoquinolin-5-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propanamide

Systemtic Name: 2-isoquinolin-5-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propanamide Openeye Name: 2-(5-isoquinolyl)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propanamide CAS Name: 2-(5-isoquinolinyl)-N-[[4-(trifluoromethylthio)phenyl]methyl]propanamide IUPAC Name: 2-isoquinolin-5-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propanamide Traditional Name: 2-(5-isoquinolyl)-N-[4-(trifluoromethylthio)benzyl]propionamide Formula: C20H17F3N2OS MolecularWeight: 390.42199

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=C1C=CN=C2)C(=O)NCC3=CC=C(C=C3)SC(F)(F)F

Isomeric SMILES

CC(C1=CC=CC2=C1C=CN=C2)C(=O)NCC3=CC=C(C=C3)SC(F)(F)F

InChI

InChI=1S/C20H17F3N2OS/c1-13(17-4-2-3-15-12-24-10-9-18(15)17)19(26)25-11-14-5-7-16(8-6-14)27-20(21,22)23/h2-10,12-13H,11H2,1H3,(H,25,26)