4-[[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]sulfamoyl]-2-nitro-phenolate

Systemtic Name: 4-[[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]sulfamoyl]-2-nitro-phenolate Openeye Name: 4-[[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]sulfamoyl]-2-nitro-phenolate CAS Name: 4-[[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]sulfamoyl]-2-nitrophenolate IUPAC Name: 4-[[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]sulfamoyl]-2-nitrophenolate Traditional Name: 4-[[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]sulfamoyl]-2-nitro-phenolate Formula: C17H14N5O5S- MolecularWeight: 400.38856

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2)C3=CC=CC=C3NS(=O)(=O)C4=CC(=C(C=C4)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC1C2=NC(=NN2)C3=CC=CC=C3NS(=O)(=O)C4=CC(=C(C=C4)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O5S/c23-15-8-7-11(9-14(15)22(24)25)28(26,27)21-13-4-2-1-3-12(13)17-18-16(19-20-17)10-5-6-10/h1-4,7-10,21,23H,5-6H2,(H,18,19,20)/p-1