2-(2-ethanoyl-1H-isoquinolin-1-yl)-N-[3-(3-methylsulfanyl-1,2,4-triazol-4-yl)phenyl]ethanamide

Systemtic Name: 2-(2-ethanoyl-1H-isoquinolin-1-yl)-N-[3-(3-methylsulfanyl-1,2,4-triazol-4-yl)phenyl]ethanamide Openeye Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[3-(3-methylsulfanyl-1,2,4-triazol-4-yl)phenyl]acetamide CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[3-[3-(methylthio)-1,2,4-triazol-4-yl]phenyl]acetamide IUPAC Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[3-(3-methylsulfanyl-1,2,4-triazol-4-yl)phenyl]acetamide Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[3-[3-(methylthio)-1,2,4-triazol-4-yl]phenyl]acetamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC3=CC=CC(=C3)N4C=NN=C4SC

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC3=CC=CC(=C3)N4C=NN=C4SC

InChI

InChI=1S/C22H21N5O2S/c1-15(28)26-11-10-16-6-3-4-9-19(16)20(26)13-21(29)24-17-7-5-8-18(12-17)27-14-23-25-22(27)30-2/h3-12,14,20H,13H2,1-2H3,(H,24,29)