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

Systemtic Name: 2-[[5-ethyl-4-(2-methylbutan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(1,1-dimethylpropyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-ethyl-4-(2-methylbutan-2-yl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-ethyl-4-(2-methylbutan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[(4-tert-amyl-5-ethyl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C11H19N3O2S MolecularWeight: 257.35246

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C(C)(C)CC)SCC(=O)O

Isomeric SMILES

CCC1=NN=C(N1C(C)(C)CC)SCC(=O)O

InChI

InChI=1S/C11H19N3O2S/c1-5-8-12-13-10(17-7-9(15)16)14(8)11(3,4)6-2/h5-7H2,1-4H3,(H,15,16)