5-azanyl-3-phenethylsulfanyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one

Systemtic Name: 5-azanyl-3-phenethylsulfanyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Openeye Name: 5-amino-3-phenethylsulfanyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one CAS Name: 5-amino-3-(phenethylthio)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one IUPAC Name: 5-amino-3-phenethylsulfanyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Traditional Name: 5-amino-3-(phenethylthio)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Formula: C13H13N5OS MolecularWeight: 287.34022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=NNC3=NC(=O)C=C(N32)N

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=NNC3=NC(=O)C=C(N32)N

InChI

InChI=1S/C13H13N5OS/c14-10-8-11(19)15-12-16-17-13(18(10)12)20-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7,14H2,(H,15,16,19)