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

Systemtic Name: 2-[[4-(4-methylpentan-2-yl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(1,3-dimethylbutyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(4-methylpentan-2-yl)-5-propyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(4-methylpentan-2-yl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(1,3-dimethylbutyl)-5-propyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C13H23N3O2S MolecularWeight: 285.40562

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1C(C)CC(C)C)SCC(=O)O

Isomeric SMILES

CCCC1=NN=C(N1C(C)CC(C)C)SCC(=O)O

InChI

InChI=1S/C13H23N3O2S/c1-5-6-11-14-15-13(19-8-12(17)18)16(11)10(4)7-9(2)3/h9-10H,5-8H2,1-4H3,(H,17,18)