3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoate

Systemtic Name: 3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoate Openeye Name: 3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoate CAS Name: 3-[(1H-1,2,4-triazol-5-ylthio)methyl]benzoate IUPAC Name: 3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoate Traditional Name: 3-[(1H-1,2,4-triazol-5-ylthio)methyl]benzoate Formula: C10H8N3O2S- MolecularWeight: 234.25442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9N3O2S/c14-9(15)8-3-1-2-7(4-8)5-16-10-11-6-12-13-10/h1-4,6H,5H2,(H,14,15)(H,11,12,13)/p-1