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

Systemtic Name: 2-[[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-[(1S)-1,2-dimethylpropyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-[(1S)-1,2-dimethylpropyl]-1,2,4-triazol-3-yl]thio]acetate Formula: C9H14N3O2S- MolecularWeight: 228.29136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)N1C=NN=C1SCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C9H15N3O2S/c1-6(2)7(3)12-5-10-11-9(12)15-4-8(13)14/h5-7H,4H2,1-3H3,(H,13,14)/p-1/t7-/m0/s1