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

Systemtic Name: 5-[(2,5-dimethoxy-4-nitro-phenyl)sulfanylmethyl]-4-(2,4-dimethylphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-[(2,5-dimethoxy-4-nitro-phenyl)sulfanylmethyl]-4-(2,4-dimethylphenyl)-1,2,4-triazole-3-thiolate CAS Name: 5-[[(2,5-dimethoxy-4-nitrophenyl)thio]methyl]-4-(2,4-dimethylphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(2,5-dimethoxy-4-nitrophenyl)sulfanylmethyl]-4-(2,4-dimethylphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-[[(2,5-dimethoxy-4-nitro-phenyl)thio]methyl]-4-(2,4-dimethylphenyl)-1,2,4-triazole-3-thiolate Formula: C19H19N4O4S2- MolecularWeight: 431.50856

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O4S2/c1-11-5-6-13(12(2)7-11)22-18(20-21-19(22)28)10-29-17-9-15(26-3)14(23(24)25)8-16(17)27-4/h5-9H,10H2,1-4H3,(H,21,28)/p-1