N-(4-fluorophenyl)-2-isoquinolin-1-ylsulfanyl-ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-isoquinolin-1-ylsulfanyl-ethanamide Openeye Name: N-(4-fluorophenyl)-2-(1-isoquinolylsulfanyl)acetamide CAS Name: N-(4-fluorophenyl)-2-(1-isoquinolinylthio)acetamide IUPAC Name: N-(4-fluorophenyl)-2-isoquinolin-1-ylsulfanylacetamide Traditional Name: N-(4-fluorophenyl)-2-(1-isoquinolylthio)acetamide Formula: C17H13FN2OS MolecularWeight: 312.361323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13FN2OS/c18-13-5-7-14(8-6-13)20-16(21)11-22-17-15-4-2-1-3-12(15)9-10-19-17/h1-10H,11H2,(H,20,21)