5-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethyl]-4-(3-methoxyphenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethyl]-4-(3-methoxyphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethyl]-4-(3-methoxyphenyl)-1,2,4-triazole-3-thiolate CAS Name: 5-[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)ethyl]-4-(3-methoxyphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-(3-methoxyphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethyl]-4-(3-methoxyphenyl)-1,2,4-triazole-3-thiolate Formula: C16H17N6O3S- MolecularWeight: 373.40958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC2=NN=C(N2C3=CC(=CC=C3)OC)[S-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCC2=NN=C(N2C3=CC(=CC=C3)OC)[S-])C)[N+](=O)[O-]

InChI

InChI=1S/C16H18N6O3S/c1-10-15(22(23)24)11(2)20(19-10)8-7-14-17-18-16(26)21(14)12-5-4-6-13(9-12)25-3/h4-6,9H,7-8H2,1-3H3,(H,18,26)/p-1