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

Systemtic Name: 2-[(5-pentadecyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(5-pentadecyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[(5-pentadecyl-1H-1,2,4-triazol-3-yl)thio]acetic acid IUPAC Name: 2-[(5-pentadecyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(5-pentadecyl-1H-1,2,4-triazol-3-yl)thio]acetic acid Formula: C19H35N3O2S MolecularWeight: 369.5651

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=NC(=NN1)SCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC1=NC(=NN1)SCC(=O)O

InChI

InChI=1S/C19H35N3O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-19(22-21-17)25-16-18(23)24/h2-16H2,1H3,(H,23,24)(H,20,21,22)