2-[3,4-bis(fluoranyl)phenyl]sulfanyl-N-isoquinolin-5-yl-ethanamide

Systemtic Name: 2-[3,4-bis(fluoranyl)phenyl]sulfanyl-N-isoquinolin-5-yl-ethanamide Openeye Name: 2-(3,4-difluorophenyl)sulfanyl-N-(5-isoquinolyl)acetamide CAS Name: 2-[(3,4-difluorophenyl)thio]-N-(5-isoquinolinyl)acetamide IUPAC Name: 2-(3,4-difluorophenyl)sulfanyl-N-isoquinolin-5-ylacetamide Traditional Name: 2-[(3,4-difluorophenyl)thio]-N-(5-isoquinolyl)acetamide Formula: C17H12F2N2OS MolecularWeight: 330.351786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)NC(=O)CSC3=CC(=C(C=C3)F)F

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)NC(=O)CSC3=CC(=C(C=C3)F)F

InChI

InChI=1S/C17H12F2N2OS/c18-14-5-4-12(8-15(14)19)23-10-17(22)21-16-3-1-2-11-9-20-7-6-13(11)16/h1-9H,10H2,(H,21,22)