2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)ethanamide

Systemtic Name: 2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)ethanamide Openeye Name: 2-[[4-(4-bromophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide CAS Name: 2-[[4-(4-bromophenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(4-sulfamoylphenyl)acetamide IUPAC Name: 2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide Traditional Name: 2-[[4-(4-bromophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(4-sulfamoylphenyl)acetamide Formula: C21H17BrN6O3S2 MolecularWeight: 545.43208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NN=C(N2C3=CC=C(C=C3)Br)SCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CN=C1)C2=NN=C(N2C3=CC=C(C=C3)Br)SCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C21H17BrN6O3S2/c22-15-3-7-17(8-4-15)28-20(14-2-1-11-24-12-14)26-27-21(28)32-13-19(29)25-16-5-9-18(10-6-16)33(23,30)31/h1-12H,13H2,(H,25,29)(H2,23,30,31)