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

Systemtic Name: 2-[[5-methyl-4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-[(1S)-1,2-dimethylpropyl]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-methyl-4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-methyl-4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-[(1S)-1,2-dimethylpropyl]-5-methyl-1,2,4-triazol-3-yl]thio]acetate Formula: C10H16N3O2S- MolecularWeight: 242.31794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H17N3O2S/c1-6(2)7(3)13-8(4)11-12-10(13)16-5-9(14)15/h6-7H,5H2,1-4H3,(H,14,15)/p-1/t7-/m0/s1