4-(1-ethyl-5-methyl-pyrazol-4-yl)-5-[2-(3-nitropyrazol-1-yl)ethyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(1-ethyl-5-methyl-pyrazol-4-yl)-5-[2-(3-nitropyrazol-1-yl)ethyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-(1-ethyl-5-methyl-pyrazol-4-yl)-5-[2-(3-nitropyrazol-1-yl)ethyl]-1,2,4-triazole-3-thiolate CAS Name: 4-(1-ethyl-5-methyl-4-pyrazolyl)-5-[2-(3-nitro-1-pyrazolyl)ethyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(1-ethyl-5-methylpyrazol-4-yl)-5-[2-(3-nitropyrazol-1-yl)ethyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-(1-ethyl-5-methyl-pyrazol-4-yl)-5-[2-(3-nitropyrazol-1-yl)ethyl]-1,2,4-triazole-3-thiolate Formula: C13H15N8O2S- MolecularWeight: 347.3756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)N2C(=NN=C2[S-])CCN3C=CC(=N3)[N+](=O)[O-])C

Isomeric SMILES

CCN1C(=C(C=N1)N2C(=NN=C2[S-])CCN3C=CC(=N3)[N+](=O)[O-])C

InChI

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