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

Systemtic Name: sodium 3-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]butanoic acid Openeye Name: sodium 3-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]butanoic acid CAS Name: sodium 3-[[5-tert-butyl-2-[dimethylamino(oxo)methyl]-1,2,4-triazol-3-yl]thio]butanoic acid IUPAC Name: sodium 3-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]butanoic acid Traditional Name: sodium 3-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]thio]butyric acid Formula: C13H22N4NaO3S+ MolecularWeight: 337.39355

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)SC1=NC(=NN1C(=O)N(C)C)C(C)(C)C.[Na+]

Isomeric SMILES

CC(CC(=O)O)SC1=NC(=NN1C(=O)N(C)C)C(C)(C)C.[Na+]

InChI

InChI=1S/C13H22N4O3S.Na/c1-8(7-9(18)19)21-11-14-10(13(2,3)4)15-17(11)12(20)16(5)6;/h8H,7H2,1-6H3,(H,18,19);/q;+1