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

Systemtic Name: 2-[[5-cyclopropyl-4-[(2S)-1-methoxypropan-2-yl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-cyclopropyl-4-[(1S)-2-methoxy-1-methyl-ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-cyclopropyl-4-[(2S)-1-methoxypropan-2-yl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-cyclopropyl-4-[(2S)-1-methoxypropan-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-cyclopropyl-4-[(1S)-2-methoxy-1-methyl-ethyl]-1,2,4-triazol-3-yl]thio]acetate Formula: C11H16N3O3S- MolecularWeight: 270.32804

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)N1C(=NN=C1SCC(=O)[O-])C2CC2

Isomeric SMILES

C[C@@H](COC)N1C(=NN=C1SCC(=O)[O-])C2CC2

InChI

InChI=1S/C11H17N3O3S/c1-7(5-17-2)14-10(8-3-4-8)12-13-11(14)18-6-9(15)16/h7-8H,3-6H2,1-2H3,(H,15,16)/p-1/t7-/m0/s1