2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetate IUPAC Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetate Formula: C10H8N3O2S- MolecularWeight: 234.25442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)[O-]

InChI

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