(2S)-2-phenyl-2-(1,2,4-triazol-1-yl)ethanoate

Systemtic Name: (2S)-2-phenyl-2-(1,2,4-triazol-1-yl)ethanoate Openeye Name: (2S)-2-phenyl-2-(1,2,4-triazol-1-yl)acetate CAS Name: (2S)-2-phenyl-2-(1,2,4-triazol-1-yl)acetate IUPAC Name: (2S)-2-phenyl-2-(1,2,4-triazol-1-yl)acetate Traditional Name: (2S)-2-phenyl-2-(1,2,4-triazol-1-yl)acetate Formula: C10H8N3O2- MolecularWeight: 202.18942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)[O-])N2C=NC=N2

Isomeric SMILES

C1=CC=C(C=C1)[C@@H](C(=O)[O-])N2C=NC=N2

InChI

InChI=1S/C10H9N3O2/c14-10(15)9(13-7-11-6-12-13)8-4-2-1-3-5-8/h1-7,9H,(H,14,15)/p-1/t9-/m0/s1