N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[[2-(isopropylsulfamoylmethyl)phenyl]methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-[2-(isopropylsulfamoylmethyl)benzyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C21H25N5O3S2 MolecularWeight: 459.5849

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)CC1=CC=CC=C1CNC(=O)C2=CC=C(C=C2)CSC3=NC=NN3

Isomeric SMILES

CC(C)NS(=O)(=O)CC1=CC=CC=C1CNC(=O)C2=CC=C(C=C2)CSC3=NC=NN3

InChI

InChI=1S/C21H25N5O3S2/c1-15(2)26-31(28,29)13-19-6-4-3-5-18(19)11-22-20(27)17-9-7-16(8-10-17)12-30-21-23-14-24-25-21/h3-10,14-15,26H,11-13H2,1-2H3,(H,22,27)(H,23,24,25)