2-[5-[(4-fluorophenyl)methoxy]isoquinolin-1-yl]sulfanylethanenitrile

Systemtic Name: 2-[5-[(4-fluorophenyl)methoxy]isoquinolin-1-yl]sulfanylethanenitrile Openeye Name: 2-[[5-[(4-fluorophenyl)methoxy]-1-isoquinolyl]sulfanyl]acetonitrile CAS Name: 2-[[5-[(4-fluorophenyl)methoxy]-1-isoquinolinyl]thio]acetonitrile IUPAC Name: 2-[5-[(4-fluorophenyl)methoxy]isoquinolin-1-yl]sulfanylacetonitrile Traditional Name: 2-[[5-(4-fluorobenzyl)oxy-1-isoquinolyl]thio]acetonitrile Formula: C18H13FN2OS MolecularWeight: 324.372023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2SCC#N)C(=C1)OCC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC2=C(C=CN=C2SCC#N)C(=C1)OCC3=CC=C(C=C3)F

InChI

InChI=1S/C18H13FN2OS/c19-14-6-4-13(5-7-14)12-22-17-3-1-2-16-15(17)8-10-21-18(16)23-11-9-20/h1-8,10H,11-12H2