1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]triazole-4-carboxamide CAS Name: 1-phenyl-5-[(2-pyrimidinylthio)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]-4-triazolecarboxamide IUPAC Name: 1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]triazole-4-carboxamide Traditional Name: 1-phenyl-5-[(2-pyrimidylthio)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]triazole-4-carboxamide Formula: C22H21N7O3S2 MolecularWeight: 495.57724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(N=N2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N)CSC4=NC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(N=N2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N)CSC4=NC=CC=N4

InChI

InChI=1S/C22H21N7O3S2/c23-34(31,32)18-9-7-16(8-10-18)11-14-24-21(30)20-19(15-33-22-25-12-4-13-26-22)29(28-27-20)17-5-2-1-3-6-17/h1-10,12-13H,11,14-15H2,(H,24,30)(H2,23,31,32)