2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-tert-butyl-2-[dimethylamino(oxo)methyl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C11H17N4O3S- MolecularWeight: 285.34268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=N1)SCC(=O)[O-])C(=O)N(C)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=N1)SCC(=O)[O-])C(=O)N(C)C

InChI

InChI=1S/C11H18N4O3S/c1-11(2,3)8-12-9(19-6-7(16)17)15(13-8)10(18)14(4)5/h6H2,1-5H3,(H,16,17)/p-1