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

Systemtic Name: 4-(4-chloranyl-2,5-dimethoxy-phenyl)-3-(4-nitrophenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(4-chloro-2,5-dimethoxy-phenyl)-3-(4-nitrophenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-chloro-2,5-dimethoxyphenyl)-3-(4-nitrophenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-chloro-2,5-dimethoxyphenyl)-3-(4-nitrophenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-chloro-2,5-dimethoxy-phenyl)-3-(4-nitrophenyl)-1H-1,2,4-triazole-5-thione Formula: C16H13ClN4O4S MolecularWeight: 392.81682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1N2C(=NNC2=S)C3=CC=C(C=C3)[N+](=O)[O-])OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1N2C(=NNC2=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)