2-isoquinolin-1-ylsulfanyl-N-[3-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-isoquinolin-1-ylsulfanyl-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-(1-isoquinolylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-(1-isoquinolinylthio)-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-isoquinolin-1-ylsulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-(1-isoquinolylthio)-N-[3-(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(=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2SCC(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

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