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

Systemtic Name: 2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)ethanamide Openeye Name: 2-[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide CAS Name: 2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-(4-sulfamoylphenyl)acetamide IUPAC Name: 2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide Traditional Name: 2-[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(4-sulfamoylphenyl)acetamide Formula: C22H20N6O3S2 MolecularWeight: 480.5626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N)C4=CC=NC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N)C4=CC=NC=C4

InChI

InChI=1S/C22H20N6O3S2/c1-15-4-2-3-5-19(15)28-21(16-10-12-24-13-11-16)26-27-22(28)32-14-20(29)25-17-6-8-18(9-7-17)33(23,30)31/h2-13H,14H2,1H3,(H,25,29)(H2,23,30,31)