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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N8O2S/c1-3-19-9(2)11(7-15-19)20-12(16-17-13(20)24)4-5-18-8-10(6-14-18)21(22)23/h6-8H,3-5H2,1-2H3,(H,17,24)/p-1