N-isoquinolin-5-yl-2-methylsulfanyl-ethanamide

Systemtic Name: N-isoquinolin-5-yl-2-methylsulfanyl-ethanamide Openeye Name: N-(5-isoquinolyl)-2-methylsulfanyl-acetamide CAS Name: N-(5-isoquinolinyl)-2-(methylthio)acetamide IUPAC Name: N-isoquinolin-5-yl-2-methylsulfanylacetamide Traditional Name: N-(5-isoquinolyl)-2-(methylthio)acetamide Formula: C12H12N2OS MolecularWeight: 232.30148

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)NC1=CC=CC2=C1C=CN=C2

Isomeric SMILES

CSCC(=O)NC1=CC=CC2=C1C=CN=C2

InChI

InChI=1S/C12H12N2OS/c1-16-8-12(15)14-11-4-2-3-9-7-13-6-5-10(9)11/h2-7H,8H2,1H3,(H,14,15)