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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N)C4=CC=NC=C4

InChI

InChI=1S/C22H20N6O3S2/c23-33(30,31)19-8-4-7-18(13-19)25-20(29)15-32-22-27-26-21(17-9-11-24-12-10-17)28(22)14-16-5-2-1-3-6-16/h1-13H,14-15H2,(H,25,29)(H2,23,30,31)