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

Systemtic Name: (2S)-2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-ethanoate Openeye Name: (2S)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-acetate CAS Name: (2S)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-2-phenylacetate IUPAC Name: (2S)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetate Traditional Name: (2S)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-2-phenyl-acetate Formula: C10H9N4O2S- MolecularWeight: 249.26906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)[O-])SC2=NNC(=N2)N

Isomeric SMILES

C1=CC=C(C=C1)[C@@H](C(=O)[O-])SC2=NNC(=N2)N

InChI

InChI=1S/C10H10N4O2S/c11-9-12-10(14-13-9)17-7(8(15)16)6-4-2-1-3-5-6/h1-5,7H,(H,15,16)(H3,11,12,13,14)/p-1/t7-/m0/s1