3-(naphthalen-1-ylmethylsulfanyl)-5-propyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one

Systemtic Name: 3-(naphthalen-1-ylmethylsulfanyl)-5-propyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Openeye Name: 3-(1-naphthylmethylsulfanyl)-5-propyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one CAS Name: 3-(1-naphthalenylmethylthio)-5-propyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one IUPAC Name: 3-(naphthalen-1-ylmethylsulfanyl)-5-propyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Traditional Name: 3-(1-naphthylmethylthio)-5-propyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Formula: C19H18N4OS MolecularWeight: 350.43742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C2N1C(=NN2)SCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCCC1=CC(=O)N=C2N1C(=NN2)SCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C19H18N4OS/c1-2-6-15-11-17(24)20-18-21-22-19(23(15)18)25-12-14-9-5-8-13-7-3-4-10-16(13)14/h3-5,7-11H,2,6,12H2,1H3,(H,20,21,24)