methyl 2-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)carbamoylsulfamoyl]benzoate

Systemtic Name: methyl 2-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)carbamoylsulfamoyl]benzoate Openeye Name: methyl 2-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)carbamoylsulfamoyl]benzoate CAS Name: 2-[[[[3-(methylthio)-1H-1,2,4-triazol-5-yl]amino]-oxomethyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)carbamoylsulfamoyl]benzoate Traditional Name: 2-[[3-(methylthio)-1H-1,2,4-triazol-5-yl]carbamoylsulfamoyl]benzoic acid methyl ester Formula: C12H13N5O5S2 MolecularWeight: 371.39212

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NC(=NN2)SC

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NC(=NN2)SC

InChI

InChI=1S/C12H13N5O5S2/c1-22-9(18)7-5-3-4-6-8(7)24(20,21)17-11(19)13-10-14-12(23-2)16-15-10/h3-6H,1-2H3,(H3,13,14,15,16,17,19)