4-azanyl-3-[(4,6-dimethoxypyrimidin-2-yl)sulfanylmethyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-azanyl-3-[(4,6-dimethoxypyrimidin-2-yl)sulfanylmethyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-amino-3-[(4,6-dimethoxypyrimidin-2-yl)sulfanylmethyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-amino-3-[[(4,6-dimethoxy-2-pyrimidinyl)thio]methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-amino-3-[(4,6-dimethoxypyrimidin-2-yl)sulfanylmethyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-amino-3-[[(4,6-dimethoxypyrimidin-2-yl)thio]methyl]-1H-1,2,4-triazole-5-thione Formula: C9H12N6O2S2 MolecularWeight: 300.36058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)SCC2=NNC(=S)N2N)OC

Isomeric SMILES

COC1=CC(=NC(=N1)SCC2=NNC(=S)N2N)OC

InChI

InChI=1S/C9H12N6O2S2/c1-16-6-3-7(17-2)12-8(11-6)19-4-5-13-14-9(18)15(5)10/h3H,4,10H2,1-2H3,(H,14,18)