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

Systemtic Name: 2-[[5-methyl-4-(2-methylbutan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(1,1-dimethylpropyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-methyl-4-(2-methylbutan-2-yl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-methyl-4-(2-methylbutan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[(4-tert-amyl-5-methyl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C10H17N3O2S MolecularWeight: 243.32588

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)N1C(=NN=C1SCC(=O)O)C

Isomeric SMILES

CCC(C)(C)N1C(=NN=C1SCC(=O)O)C

InChI

InChI=1S/C10H17N3O2S/c1-5-10(3,4)13-7(2)11-12-9(13)16-6-8(14)15/h5-6H2,1-4H3,(H,14,15)