ethyl 2-[[3-(2-nitrophenyl)sulfanyl-1H-1,2,4-triazol-5-yl]carbamoylsulfamoyl]benzoate

Systemtic Name: ethyl 2-[[3-(2-nitrophenyl)sulfanyl-1H-1,2,4-triazol-5-yl]carbamoylsulfamoyl]benzoate Openeye Name: ethyl 2-[[3-(2-nitrophenyl)sulfanyl-1H-1,2,4-triazol-5-yl]carbamoylsulfamoyl]benzoate CAS Name: 2-[[[[3-[(2-nitrophenyl)thio]-1H-1,2,4-triazol-5-yl]amino]-oxomethyl]sulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[3-(2-nitrophenyl)sulfanyl-1H-1,2,4-triazol-5-yl]carbamoylsulfamoyl]benzoate Traditional Name: 2-[[3-[(2-nitrophenyl)thio]-1H-1,2,4-triazol-5-yl]carbamoylsulfamoyl]benzoic acid ethyl ester Formula: C18H16N6O7S2 MolecularWeight: 492.48564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NC(=NN2)SC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NC(=NN2)SC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H16N6O7S2/c1-2-31-15(25)11-7-3-6-10-14(11)33(29,30)23-17(26)19-16-20-18(22-21-16)32-13-9-5-4-8-12(13)24(27)28/h3-10H,2H2,1H3,(H3,19,20,21,22,23,26)