2-isoquinolin-1-ylsulfanyl-N-[2-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-isoquinolin-1-ylsulfanyl-N-[2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-(1-isoquinolylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-(1-isoquinolinylthio)-N-[2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-isoquinolin-1-ylsulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-(1-isoquinolylthio)-N-[2-(trifluoromethyl)phenyl]acetamide Formula: C18H13F3N2OS MolecularWeight: 362.36883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2SCC(=O)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2SCC(=O)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C18H13F3N2OS/c19-18(20,21)14-7-3-4-8-15(14)23-16(24)11-25-17-13-6-2-1-5-12(13)9-10-22-17/h1-10H,11H2,(H,23,24)