ethyl 2-[(3-bromanyl-4-cyclopropyl-5-oxidanylidene-1,2,4-triazol-1-yl)carbonylsulfamoyl]benzoate

Systemtic Name: ethyl 2-[(3-bromanyl-4-cyclopropyl-5-oxidanylidene-1,2,4-triazol-1-yl)carbonylsulfamoyl]benzoate Openeye Name: ethyl 2-[(3-bromo-4-cyclopropyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl]benzoate CAS Name: 2-[[(3-bromo-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl)-oxomethyl]sulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[(3-bromo-4-cyclopropyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl]benzoate Traditional Name: 2-[(3-bromo-4-cyclopropyl-5-keto-1,2,4-triazole-1-carbonyl)sulfamoyl]benzoic acid ethyl ester Formula: C15H15BrN4O6S MolecularWeight: 459.2718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)Br)C3CC3

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)Br)C3CC3

InChI

InChI=1S/C15H15BrN4O6S/c1-2-26-12(21)10-5-3-4-6-11(10)27(24,25)18-14(22)20-15(23)19(9-7-8-9)13(16)17-20/h3-6,9H,2,7-8H2,1H3,(H,18,22)