3-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]benzoate

Systemtic Name: 3-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]benzoate Openeye Name: 3-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]amino]benzoate IUPAC Name: 3-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzoate Traditional Name: 3-[[2-(1H-1,2,4-triazol-5-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=NC=NN2)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CSC2=NC=NN2)C(=O)[O-]

InChI

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