1-methyl-3-nitro-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-triazole

Systemtic Name: 1-methyl-3-nitro-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-triazole Openeye Name: 1-methyl-3-nitro-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-triazole CAS Name: 1-methyl-3-nitro-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-1,2,4-triazole IUPAC Name: 1-methyl-3-nitro-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-triazole Traditional Name: 1-methyl-3-nitro-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-1,2,4-triazole Formula: C11H9N7O2S MolecularWeight: 303.29986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)[N+](=O)[O-])SC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CN1C(=NC(=N1)[N+](=O)[O-])SC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C11H9N7O2S/c1-17-11(13-9(16-17)18(19)20)21-10-12-8(14-15-10)7-5-3-2-4-6-7/h2-6H,1H3,(H,12,14,15)