4-(4-chloranyl-2,5-dimethoxy-phenyl)-5-(4-nitrophenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(4-chloranyl-2,5-dimethoxy-phenyl)-5-(4-nitrophenyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-(4-chloro-2,5-dimethoxy-phenyl)-5-(4-nitrophenyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(4-chloro-2,5-dimethoxyphenyl)-5-(4-nitrophenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-(4-chloro-2,5-dimethoxyphenyl)-5-(4-nitrophenyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-(4-chloro-2,5-dimethoxy-phenyl)-5-(4-nitrophenyl)-1,2,4-triazole-3-thiolate Formula: C16H12ClN4O4S- MolecularWeight: 391.80888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1N2C(=NN=C2[S-])C3=CC=C(C=C3)[N+](=O)[O-])OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1N2C(=NN=C2[S-])C3=CC=C(C=C3)[N+](=O)[O-])OC)Cl

InChI

InChI=1S/C16H13ClN4O4S/c1-24-13-8-12(14(25-2)7-11(13)17)20-15(18-19-16(20)26)9-3-5-10(6-4-9)21(22)23/h3-8H,1-2H3,(H,19,26)/p-1