3-[sulfanyl(1H-1,2,4-triazol-5-yl)methyl]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(C2=NC=NN2)S)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(C2=NC=NN2)S)C(=O)O

InChI

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