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

Systemtic Name: 3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoic acid Openeye Name: 3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoic acid CAS Name: 3-[(1H-1,2,4-triazol-5-ylthio)methyl]benzoic acid IUPAC Name: 3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoic acid Traditional Name: 3-[(1H-1,2,4-triazol-5-ylthio)methyl]benzoic acid Formula: C10H9N3O2S MolecularWeight: 235.26236

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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)