N-methyl-2-([1,2,4]triazolo[3,4-a]isoquinolin-3-ylsulfanyl)ethanamide

Systemtic Name: N-methyl-2-([1,2,4]triazolo[3,4-a]isoquinolin-3-ylsulfanyl)ethanamide Openeye Name: N-methyl-2-([1,2,4]triazolo[3,4-a]isoquinolin-3-ylsulfanyl)acetamide CAS Name: N-methyl-2-([1,2,4]triazolo[3,4-a]isoquinolin-3-ylthio)acetamide IUPAC Name: N-methyl-2-([1,2,4]triazolo[3,4-a]isoquinolin-3-ylsulfanyl)acetamide Traditional Name: N-methyl-2-([1,2,4]triazol[3,4-a]isoquinolin-3-ylthio)acetamide Formula: C13H12N4OS MolecularWeight: 272.32558

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CSC1=NN=C2N1C=CC3=CC=CC=C32

Isomeric SMILES

CNC(=O)CSC1=NN=C2N1C=CC3=CC=CC=C32

InChI

InChI=1S/C13H12N4OS/c1-14-11(18)8-19-13-16-15-12-10-5-3-2-4-9(10)6-7-17(12)13/h2-7H,8H2,1H3,(H,14,18)