4-methoxy-3-[[3-(3-methylsulfanyl-1,2,4-triazol-4-yl)phenyl]sulfamoyl]benzoic acid

Systemtic Name: 4-methoxy-3-[[3-(3-methylsulfanyl-1,2,4-triazol-4-yl)phenyl]sulfamoyl]benzoic acid Openeye Name: 4-methoxy-3-[[3-(3-methylsulfanyl-1,2,4-triazol-4-yl)phenyl]sulfamoyl]benzoic acid CAS Name: 4-methoxy-3-[[3-[3-(methylthio)-1,2,4-triazol-4-yl]phenyl]sulfamoyl]benzoic acid IUPAC Name: 4-methoxy-3-[[3-(3-methylsulfanyl-1,2,4-triazol-4-yl)phenyl]sulfamoyl]benzoic acid Traditional Name: 4-methoxy-3-[[3-[3-(methylthio)-1,2,4-triazol-4-yl]phenyl]sulfamoyl]benzoic acid Formula: C17H16N4O5S2 MolecularWeight: 420.46274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC=CC(=C2)N3C=NN=C3SC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC=CC(=C2)N3C=NN=C3SC

InChI

InChI=1S/C17H16N4O5S2/c1-26-14-7-6-11(16(22)23)8-15(14)28(24,25)20-12-4-3-5-13(9-12)21-10-18-19-17(21)27-2/h3-10,20H,1-2H3,(H,22,23)