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

Systemtic Name: 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]butanoic acid Openeye Name: 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]butanoic acid CAS Name: 2-[[5-tert-butyl-2-[dimethylamino(oxo)methyl]-1,2,4-triazol-3-yl]thio]butanoic acid IUPAC Name: 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]butanoic acid Traditional Name: 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]thio]butyric acid Formula: C13H22N4O3S MolecularWeight: 314.40378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N4O3S/c1-7-8(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)