4-(1-ethyl-5-methyl-pyrazol-4-yl)-3-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(1-ethyl-5-methyl-pyrazol-4-yl)-3-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1-ethyl-5-methyl-pyrazol-4-yl)-3-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(1-ethyl-5-methyl-4-pyrazolyl)-3-[(5-methyl-3-nitro-1-pyrazolyl)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(1-ethyl-5-methylpyrazol-4-yl)-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(1-ethyl-5-methyl-pyrazol-4-yl)-3-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione Formula: C13H16N8O2S MolecularWeight: 348.38354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)N2C(=NNC2=S)CN3C(=CC(=N3)[N+](=O)[O-])C)C

Isomeric SMILES

CCN1C(=C(C=N1)N2C(=NNC2=S)CN3C(=CC(=N3)[N+](=O)[O-])C)C

InChI

InChI=1S/C13H16N8O2S/c1-4-18-9(3)10(6-14-18)20-12(15-16-13(20)24)7-19-8(2)5-11(17-19)21(22)23/h5-6H,4,7H2,1-3H3,(H,16,24)