methyl 5-bromanyl-2-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfamoyl]benzoate

Systemtic Name: methyl 5-bromanyl-2-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfamoyl]benzoate Openeye Name: methyl 5-bromo-2-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfamoyl]benzoate CAS Name: 5-bromo-2-[[4-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 5-bromo-2-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfamoyl]benzoate Traditional Name: 5-bromo-2-[[4-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]sulfamoyl]benzoic acid methyl ester Formula: C17H15BrN4O4S2 MolecularWeight: 483.3594

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=CC=C(C=C2)NS(=O)(=O)C3=C(C=C(C=C3)Br)C(=O)OC

Isomeric SMILES

CN1C=NN=C1SC2=CC=C(C=C2)NS(=O)(=O)C3=C(C=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C17H15BrN4O4S2/c1-22-10-19-20-17(22)27-13-6-4-12(5-7-13)21-28(24,25)15-8-3-11(18)9-14(15)16(23)26-2/h3-10,21H,1-2H3