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

Systemtic Name: 5-[(2,5-dimethoxy-4-nitro-phenyl)sulfanylmethyl]-4-(4-methylphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-[(2,5-dimethoxy-4-nitro-phenyl)sulfanylmethyl]-4-(p-tolyl)-1,2,4-triazole-3-thiolate CAS Name: 5-[[(2,5-dimethoxy-4-nitrophenyl)thio]methyl]-4-(4-methylphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(2,5-dimethoxy-4-nitrophenyl)sulfanylmethyl]-4-(4-methylphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-[[(2,5-dimethoxy-4-nitro-phenyl)thio]methyl]-4-(p-tolyl)-1,2,4-triazole-3-thiolate Formula: C18H17N4O4S2- MolecularWeight: 417.48198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2[S-])CSC3=C(C=C(C(=C3)OC)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2[S-])CSC3=C(C=C(C(=C3)OC)[N+](=O)[O-])OC

InChI

InChI=1S/C18H18N4O4S2/c1-11-4-6-12(7-5-11)21-17(19-20-18(21)27)10-28-16-9-14(25-2)13(22(23)24)8-15(16)26-3/h4-9H,10H2,1-3H3,(H,20,27)/p-1