5-ethyl-1-[3-[(4-methyl-3-nitro-phenyl)sulfonylamino]phenyl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 5-ethyl-1-[3-[(4-methyl-3-nitro-phenyl)sulfonylamino]phenyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-ethyl-1-[3-[(4-methyl-3-nitro-phenyl)sulfonylamino]phenyl]triazole-4-carboxylic acid CAS Name: 5-ethyl-1-[3-[(4-methyl-3-nitrophenyl)sulfonylamino]phenyl]-4-triazolecarboxylic acid IUPAC Name: 5-ethyl-1-[3-[(4-methyl-3-nitrophenyl)sulfonylamino]phenyl]triazole-4-carboxylic acid Traditional Name: 5-ethyl-1-[3-[(4-methyl-3-nitro-phenyl)sulfonylamino]phenyl]triazole-4-carboxylic acid Formula: C18H17N5O6S MolecularWeight: 431.42248

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=NN1C2=CC(=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCC1=C(N=NN1C2=CC(=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H17N5O6S/c1-3-15-17(18(24)25)19-21-22(15)13-6-4-5-12(9-13)20-30(28,29)14-8-7-11(2)16(10-14)23(26)27/h4-10,20H,3H2,1-2H3,(H,24,25)