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

Systemtic Name: sodium 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: sodium 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: sodium 2-[[5-tert-butyl-2-[dimethylamino(oxo)methyl]-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: sodium 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: sodium 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C11H18N4NaO3S+ MolecularWeight: 309.34039

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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.[Na+]

Isomeric SMILES

CC(C)(C)C1=NN(C(=N1)SCC(=O)O)C(=O)N(C)C.[Na+]

InChI

InChI=1S/C11H18N4O3S.Na/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);/q;+1