3-[2-(2H-1,2,3-triazol-4-ylsulfanyl)ethanoylamino]benzoate

Systemtic Name: 3-[2-(2H-1,2,3-triazol-4-ylsulfanyl)ethanoylamino]benzoate Openeye Name: 3-[[2-(2H-triazol-4-ylsulfanyl)acetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-(2H-triazol-4-ylthio)ethyl]amino]benzoate IUPAC Name: 3-[[2-(2H-triazol-4-ylsulfanyl)acetyl]amino]benzoate Traditional Name: 3-[[2-(2H-triazol-4-ylthio)acetyl]amino]benzoate Formula: C11H9N4O3S- MolecularWeight: 277.27916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CSC2=NNN=C2)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CSC2=NNN=C2)C(=O)[O-]

InChI

InChI=1S/C11H10N4O3S/c16-9(6-19-10-5-12-15-14-10)13-8-3-1-2-7(4-8)11(17)18/h1-5H,6H2,(H,13,16)(H,17,18)(H,12,14,15)/p-1