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

Systemtic Name: 3-[(2,5-dimethoxy-4-nitro-phenyl)sulfanylmethyl]-4-(2,4-dimethylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(2,5-dimethoxy-4-nitro-phenyl)sulfanylmethyl]-4-(2,4-dimethylphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[[(2,5-dimethoxy-4-nitrophenyl)thio]methyl]-4-(2,4-dimethylphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(2,5-dimethoxy-4-nitrophenyl)sulfanylmethyl]-4-(2,4-dimethylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[[(2,5-dimethoxy-4-nitro-phenyl)thio]methyl]-4-(2,4-dimethylphenyl)-1H-1,2,4-triazole-5-thione Formula: C19H20N4O4S2 MolecularWeight: 432.5165

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NNC2=S)CSC3=C(C=C(C(=C3)OC)[N+](=O)[O-])OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NNC2=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)