1-methyl-3-nitro-5-(1H-1,2,4-triazol-5-ylsulfanyl)-1,2,4-triazole

Systemtic Name: 1-methyl-3-nitro-5-(1H-1,2,4-triazol-5-ylsulfanyl)-1,2,4-triazole Openeye Name: 1-methyl-3-nitro-5-(1H-1,2,4-triazol-5-ylsulfanyl)-1,2,4-triazole CAS Name: 1-methyl-3-nitro-5-(1H-1,2,4-triazol-5-ylthio)-1,2,4-triazole IUPAC Name: 1-methyl-3-nitro-5-(1H-1,2,4-triazol-5-ylsulfanyl)-1,2,4-triazole Traditional Name: 1-methyl-3-nitro-5-(1H-1,2,4-triazol-5-ylthio)-1,2,4-triazole Formula: C5H5N7O2S MolecularWeight: 227.2039

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)[N+](=O)[O-])SC2=NC=NN2

Isomeric SMILES

CN1C(=NC(=N1)[N+](=O)[O-])SC2=NC=NN2

InChI

InChI=1S/C5H5N7O2S/c1-11-5(8-3(10-11)12(13)14)15-4-6-2-7-9-4/h2H,1H3,(H,6,7,9)