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

Systemtic Name: 2-isoquinolin-5-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamide Openeye Name: 2-(5-isoquinolyl)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]acetamide CAS Name: 2-(5-isoquinolinyl)-N-[[4-(trifluoromethylthio)phenyl]methyl]acetamide IUPAC Name: 2-isoquinolin-5-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]acetamide Traditional Name: 2-(5-isoquinolyl)-N-[4-(trifluoromethylthio)benzyl]acetamide Formula: C19H15F3N2OS MolecularWeight: 376.39541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15F3N2OS/c20-19(21,22)26-16-6-4-13(5-7-16)11-24-18(25)10-14-2-1-3-15-12-23-9-8-17(14)15/h1-9,12H,10-11H2,(H,24,25)