N-[3-(diethylsulfamoyl)-4-ethoxy-phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-[3-(diethylsulfamoyl)-4-ethoxy-phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[3-(diethylsulfamoyl)-4-ethoxy-phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-[3-(diethylsulfamoyl)-4-ethoxy-phenyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C22H27N5O4S2 MolecularWeight: 489.61088

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC=NN3)OCC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC=NN3)OCC

InChI

InChI=1S/C22H27N5O4S2/c1-4-27(5-2)33(29,30)20-13-18(11-12-19(20)31-6-3)25-21(28)17-9-7-16(8-10-17)14-32-22-23-15-24-26-22/h7-13,15H,4-6,14H2,1-3H3,(H,25,28)(H,23,24,26)