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

Systemtic Name: 2-[[4-[(2S)-1-methoxypropan-2-yl]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-[(1S)-2-methoxy-1-methyl-ethyl]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-[(2S)-1-methoxypropan-2-yl]-5-methyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-[(2S)-1-methoxypropan-2-yl]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-[(1S)-2-methoxy-1-methyl-ethyl]-5-methyl-1,2,4-triazol-3-yl]thio]acetate Formula: C9H14N3O3S- MolecularWeight: 244.29076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H15N3O3S/c1-6(4-15-3)12-7(2)10-11-9(12)16-5-8(13)14/h6H,4-5H2,1-3H3,(H,13,14)/p-1/t6-/m0/s1