4-(diethylsulfamoyl)-N-[[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide

Systemtic Name: 4-(diethylsulfamoyl)-N-[[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-4-(diethylsulfamoyl)benzamide CAS Name: 4-(diethylsulfamoyl)-N-[[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: N-[(4-benzyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-4-(diethylsulfamoyl)benzamide Traditional Name: N-[(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-4-(diethylsulfamoyl)benzamide Formula: C21H25N5O3S2 MolecularWeight: 459.5849

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2=NNC(=S)N2CC3=CC=CC=C3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2=NNC(=S)N2CC3=CC=CC=C3

InChI

InChI=1S/C21H25N5O3S2/c1-3-25(4-2)31(28,29)18-12-10-17(11-13-18)20(27)22-14-19-23-24-21(30)26(19)15-16-8-6-5-7-9-16/h5-13H,3-4,14-15H2,1-2H3,(H,22,27)(H,24,30)