2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]acetate Formula: C13H14N3O2S- MolecularWeight: 276.33416

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)[O-])CC2=CC=CC=C2

InChI

InChI=1S/C13H15N3O2S/c1-2-16-11(8-10-6-4-3-5-7-10)14-15-13(16)19-9-12(17)18/h3-7H,2,8-9H2,1H3,(H,17,18)/p-1