methyl 2-[[2-(dimethylcarbamoyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethylsulfamoyl]benzoate

Systemtic Name: methyl 2-[[2-(dimethylcarbamoyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethylsulfamoyl]benzoate Openeye Name: methyl 2-[[2-(dimethylcarbamoyl)-5-isopropyl-1,2,4-triazol-3-yl]sulfanylmethylsulfamoyl]benzoate CAS Name: 2-[[[2-[dimethylamino(oxo)methyl]-5-propan-2-yl-1,2,4-triazol-3-yl]thio]methylsulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(dimethylcarbamoyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethylsulfamoyl]benzoate Traditional Name: 2-[[[2-(dimethylcarbamoyl)-5-isopropyl-1,2,4-triazol-3-yl]thio]methylsulfamoyl]benzoic acid methyl ester Formula: C17H23N5O5S2 MolecularWeight: 441.52502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C(=N1)SCNS(=O)(=O)C2=CC=CC=C2C(=O)OC)C(=O)N(C)C

Isomeric SMILES

CC(C)C1=NN(C(=N1)SCNS(=O)(=O)C2=CC=CC=C2C(=O)OC)C(=O)N(C)C

InChI

InChI=1S/C17H23N5O5S2/c1-11(2)14-19-16(22(20-14)17(24)21(3)4)28-10-18-29(25,26)13-9-7-6-8-12(13)15(23)27-5/h6-9,11,18H,10H2,1-5H3