2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1H-imidazo[1,2-a]pyrimidin-4-ium

Systemtic Name: 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1H-imidazo[1,2-a]pyrimidin-4-ium Openeye Name: 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1H-imidazo[1,2-a]pyrimidin-4-ium CAS Name: 2-[(1H-1,2,4-triazol-5-ylthio)methyl]-1H-imidazo[1,2-a]pyrimidin-4-ium IUPAC Name: 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1H-imidazo[1,2-a]pyrimidin-4-ium Traditional Name: 2-[(1H-1,2,4-triazol-5-ylthio)methyl]-1H-imidazo[1,2-a]pyrimidin-4-ium Formula: C9H9N6S+ MolecularWeight: 233.27296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C2NC(=C[N+]2=C1)CSC3=NC=NN3

Isomeric SMILES

C1=CN=C2NC(=C[N+]2=C1)CSC3=NC=NN3

InChI

InChI=1S/C9H8N6S/c1-2-10-8-13-7(4-15(8)3-1)5-16-9-11-6-12-14-9/h1-4,6H,5H2,(H,11,12,14)/p+1