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

Systemtic Name: 1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-N-(4-sulfamoylphenyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-N-(4-sulfamoylphenyl)triazole-4-carboxamide CAS Name: 1-phenyl-5-[(2-pyrimidinylthio)methyl]-N-(4-sulfamoylphenyl)-4-triazolecarboxamide IUPAC Name: 1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-N-(4-sulfamoylphenyl)triazole-4-carboxamide Traditional Name: 1-phenyl-5-[(2-pyrimidylthio)methyl]-N-(4-sulfamoylphenyl)triazole-4-carboxamide Formula: C20H17N7O3S2 MolecularWeight: 467.52408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(N=N2)C(=O)NC3=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)NC3=CC=C(C=C3)S(=O)(=O)N)CSC4=NC=CC=N4

InChI

InChI=1S/C20H17N7O3S2/c21-32(29,30)16-9-7-14(8-10-16)24-19(28)18-17(13-31-20-22-11-4-12-23-20)27(26-25-18)15-5-2-1-3-6-15/h1-12H,13H2,(H,24,28)(H2,21,29,30)