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

Systemtic Name: 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 2-[[5-tert-butyl-2-[dimethylamino(oxo)methyl]-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]thio]propionic acid Formula: C12H20N4O3S MolecularWeight: 300.3772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NC(=NN1C(=O)N(C)C)C(C)(C)C

Isomeric SMILES

CC(C(=O)O)SC1=NC(=NN1C(=O)N(C)C)C(C)(C)C

InChI

InChI=1S/C12H20N4O3S/c1-7(8(17)18)20-10-13-9(12(2,3)4)14-16(10)11(19)15(5)6/h7H,1-6H3,(H,17,18)