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

Systemtic Name: 2-[[5-methyl-4-(4-methylpentan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(1,3-dimethylbutyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-methyl-4-(4-methylpentan-2-yl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-methyl-4-(4-methylpentan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(1,3-dimethylbutyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C11H19N3O2S MolecularWeight: 257.35246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C(C)CC(C)C)SCC(=O)O

Isomeric SMILES

CC1=NN=C(N1C(C)CC(C)C)SCC(=O)O

InChI

InChI=1S/C11H19N3O2S/c1-7(2)5-8(3)14-9(4)12-13-11(14)17-6-10(15)16/h7-8H,5-6H2,1-4H3,(H,15,16)