2-isoquinolin-1-ylsulfanyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]ethanamide

Systemtic Name: 2-isoquinolin-1-ylsulfanyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]ethanamide Openeye Name: 2-(1-isoquinolylsulfanyl)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]acetamide CAS Name: 2-(1-isoquinolinylthio)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]acetamide IUPAC Name: 2-isoquinolin-1-ylsulfanyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]acetamide Traditional Name: 2-(1-isoquinolylthio)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]acetamide Formula: C20H16N4O2S MolecularWeight: 376.43164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NO2)CNC(=O)CSC3=NC=CC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NO2)CNC(=O)CSC3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C20H16N4O2S/c25-18(13-27-20-16-9-5-4-6-14(16)10-11-21-20)22-12-17-23-19(26-24-17)15-7-2-1-3-8-15/h1-11H,12-13H2,(H,22,25)