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

Systemtic Name: 3-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 3-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 3-[[5-tert-butyl-2-[dimethylamino(oxo)methyl]-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 3-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 3-[[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)(C)C1=NN(C(=N1)SCCC(=O)O)C(=O)N(C)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=N1)SCCC(=O)O)C(=O)N(C)C

InChI

InChI=1S/C12H20N4O3S/c1-12(2,3)9-13-10(20-7-6-8(17)18)16(14-9)11(19)15(4)5/h6-7H2,1-5H3,(H,17,18)