2-[(5-octyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoic acid

Systemtic Name: 2-[(5-octyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Openeye Name: 2-[(5-octyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoic acid CAS Name: 2-[(5-octyl-1H-1,2,4-triazol-3-yl)thio]propanoic acid IUPAC Name: 2-[(5-octyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Traditional Name: 2-[(5-octyl-1H-1,2,4-triazol-3-yl)thio]propionic acid Formula: C13H23N3O2S MolecularWeight: 285.40562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NC(=NN1)SC(C)C(=O)O

Isomeric SMILES

CCCCCCCCC1=NC(=NN1)SC(C)C(=O)O

InChI

InChI=1S/C13H23N3O2S/c1-3-4-5-6-7-8-9-11-14-13(16-15-11)19-10(2)12(17)18/h10H,3-9H2,1-2H3,(H,17,18)(H,14,15,16)