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

Systemtic Name: 2-[(5-octyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(5-octyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[(5-octyl-1H-1,2,4-triazol-3-yl)thio]acetic acid IUPAC Name: 2-[(5-octyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(5-octyl-1H-1,2,4-triazol-3-yl)thio]acetic acid Formula: C12H21N3O2S MolecularWeight: 271.37904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NC(=NN1)SCC(=O)O

Isomeric SMILES

CCCCCCCCC1=NC(=NN1)SCC(=O)O

InChI

InChI=1S/C12H21N3O2S/c1-2-3-4-5-6-7-8-10-13-12(15-14-10)18-9-11(16)17/h2-9H2,1H3,(H,16,17)(H,13,14,15)