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

Systemtic Name: 2-[[5-ethyl-4-[(1R)-1-phenylethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-ethyl-4-[(1R)-1-phenylethyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-ethyl-4-[(1R)-1-phenylethyl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-ethyl-4-[(1R)-1-phenylethyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-ethyl-4-[(1R)-1-phenylethyl]-1,2,4-triazol-3-yl]thio]acetate Formula: C14H16N3O2S- MolecularWeight: 290.36074

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C(C)C2=CC=CC=C2)SCC(=O)[O-]

Isomeric SMILES

CCC1=NN=C(N1[C@H](C)C2=CC=CC=C2)SCC(=O)[O-]

InChI

InChI=1S/C14H17N3O2S/c1-3-12-15-16-14(20-9-13(18)19)17(12)10(2)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,18,19)/p-1/t10-/m1/s1