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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H15N3O2S/c1-4-9(2,3)12-6-10-11-8(12)15-5-7(13)14/h6H,4-5H2,1-3H3,(H,13,14)/p-1