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

Systemtic Name: 2-[[5-butan-2-yl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[2-(dimethylcarbamoyl)-5-sec-butyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-butan-2-yl-2-[dimethylamino(oxo)methyl]-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-butan-2-yl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[2-(dimethylcarbamoyl)-5-sec-butyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C11H18N4O3S MolecularWeight: 286.35062

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=NN(C(=N1)SCC(=O)O)C(=O)N(C)C

Isomeric SMILES

CCC(C)C1=NN(C(=N1)SCC(=O)O)C(=O)N(C)C

InChI

InChI=1S/C11H18N4O3S/c1-5-7(2)9-12-10(19-6-8(16)17)15(13-9)11(18)14(3)4/h7H,5-6H2,1-4H3,(H,16,17)