2-(2-ethanoyl-1H-isoquinolin-1-yl)-N-[3-(5-methylsulfanyl-1,2,3,4-tetrazol-1-yl)phenyl]ethanamide

Systemtic Name: 2-(2-ethanoyl-1H-isoquinolin-1-yl)-N-[3-(5-methylsulfanyl-1,2,3,4-tetrazol-1-yl)phenyl]ethanamide Openeye Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[3-[5-(methylthio)-1-tetrazolyl]phenyl]acetamide IUPAC Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[3-[5-(methylthio)tetrazol-1-yl]phenyl]acetamide Formula: C21H20N6O2S MolecularWeight: 420.4875

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC3=CC=CC(=C3)N4C(=NN=N4)SC

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC3=CC=CC(=C3)N4C(=NN=N4)SC

InChI

InChI=1S/C21H20N6O2S/c1-14(28)26-11-10-15-6-3-4-9-18(15)19(26)13-20(29)22-16-7-5-8-17(12-16)27-21(30-2)23-24-25-27/h3-12,19H,13H2,1-2H3,(H,22,29)