5-[(2,5-dimethoxy-4-nitro-phenyl)sulfanylmethyl]-4-(4-fluorophenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[(2,5-dimethoxy-4-nitro-phenyl)sulfanylmethyl]-4-(4-fluorophenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-[(2,5-dimethoxy-4-nitro-phenyl)sulfanylmethyl]-4-(4-fluorophenyl)-1,2,4-triazole-3-thiolate CAS Name: 5-[[(2,5-dimethoxy-4-nitrophenyl)thio]methyl]-4-(4-fluorophenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(2,5-dimethoxy-4-nitrophenyl)sulfanylmethyl]-4-(4-fluorophenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-[[(2,5-dimethoxy-4-nitro-phenyl)thio]methyl]-4-(4-fluorophenyl)-1,2,4-triazole-3-thiolate Formula: C17H14FN4O4S2- MolecularWeight: 421.445863

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1[N+](=O)[O-])OC)SCC2=NN=C(N2C3=CC=C(C=C3)F)[S-]

Isomeric SMILES

COC1=CC(=C(C=C1[N+](=O)[O-])OC)SCC2=NN=C(N2C3=CC=C(C=C3)F)[S-]

InChI

InChI=1S/C17H15FN4O4S2/c1-25-13-8-15(14(26-2)7-12(13)22(23)24)28-9-16-19-20-17(27)21(16)11-5-3-10(18)4-6-11/h3-8H,9H2,1-2H3,(H,20,27)/p-1