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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C(C)C2=CC=CC=C2)SCC(=O)[O-]

Isomeric SMILES

CC1=NN=C(N1[C@H](C)C2=CC=CC=C2)SCC(=O)[O-]

InChI

InChI=1S/C13H15N3O2S/c1-9(11-6-4-3-5-7-11)16-10(2)14-15-13(16)19-8-12(17)18/h3-7,9H,8H2,1-2H3,(H,17,18)/p-1/t9-/m1/s1