3-[5-[4-(diethylsulfamoyl)-2-nitro-phenyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-[4-(diethylsulfamoyl)-2-nitro-phenyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[4-(diethylsulfamoyl)-2-nitro-phenyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[[4-(diethylsulfamoyl)-2-nitrophenyl]thio]-4-methyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[4-(diethylsulfamoyl)-2-nitrophenyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[4-(diethylsulfamoyl)-2-nitro-phenyl]thio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C16H22N6O5S2 MolecularWeight: 442.51308

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(N2C)CCC(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(N2C)CCC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H22N6O5S2/c1-4-21(5-2)29(26,27)11-6-7-13(12(10-11)22(24)25)28-16-19-18-15(20(16)3)9-8-14(17)23/h6-7,10H,4-5,8-9H2,1-3H3,(H2,17,23)