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

Systemtic Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetate IUPAC Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-phenyl-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)N2C=NN=C2SCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=NN=C2SCC(=O)[O-]

InChI

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