(2R)-2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoate

Systemtic Name: (2R)-2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoate Openeye Name: (2R)-2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetate CAS Name: (2R)-2-phenyl-2-(1H-1,2,4-triazol-5-ylthio)acetate IUPAC Name: (2R)-2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetate Traditional Name: (2R)-2-phenyl-2-(1H-1,2,4-triazol-5-ylthio)acetate Formula: C10H8N3O2S- MolecularWeight: 234.25442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)[O-])SC2=NC=NN2

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C(=O)[O-])SC2=NC=NN2

InChI

InChI=1S/C10H9N3O2S/c14-9(15)8(7-4-2-1-3-5-7)16-10-11-6-12-13-10/h1-6,8H,(H,14,15)(H,11,12,13)/p-1/t8-/m1/s1