5-methylsulfanyl-7-propyl-8-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

Systemtic Name: 5-methylsulfanyl-7-propyl-8-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one Openeye Name: 5-methylsulfanyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one CAS Name: 5-(methylthio)-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one IUPAC Name: 5-methylsulfanyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one Traditional Name: 5-(methylthio)-7-propyl-8-[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one Formula: C23H22N8OS MolecularWeight: 458.53878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=NNC(=O)N2C(=N1)SC)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5

Isomeric SMILES

CCCC1=C(C2=NNC(=O)N2C(=N1)SC)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5

InChI

InChI=1S/C23H22N8OS/c1-3-6-19-18(21-27-28-22(32)31(21)23(24-19)33-2)13-14-9-11-15(12-10-14)16-7-4-5-8-17(16)20-25-29-30-26-20/h4-5,7-12H,3,6,13H2,1-2H3,(H,28,32)(H,25,26,29,30)