5-(3,4-dimethoxyphenyl)-4-(4-sulfamoylphenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(3,4-dimethoxyphenyl)-4-(4-sulfamoylphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-(3,4-dimethoxyphenyl)-4-(4-sulfamoylphenyl)-1,2,4-triazole-3-thiolate CAS Name: 5-(3,4-dimethoxyphenyl)-4-(4-sulfamoylphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-(3,4-dimethoxyphenyl)-4-(4-sulfamoylphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-(3,4-dimethoxyphenyl)-4-(4-sulfamoylphenyl)-1,2,4-triazole-3-thiolate Formula: C16H15N4O4S2- MolecularWeight: 391.4447

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)S(=O)(=O)N)[S-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)S(=O)(=O)N)[S-])OC

InChI

InChI=1S/C16H16N4O4S2/c1-23-13-8-3-10(9-14(13)24-2)15-18-19-16(25)20(15)11-4-6-12(7-5-11)26(17,21)22/h3-9H,1-2H3,(H,19,25)(H2,17,21,22)/p-1