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

Systemtic Name: 2-[(4-methyl-5-pentadecyl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(4-methyl-5-pentadecyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[(4-methyl-5-pentadecyl-1,2,4-triazol-3-yl)thio]acetic acid IUPAC Name: 2-[(4-methyl-5-pentadecyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(4-methyl-5-pentadecyl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C20H37N3O2S MolecularWeight: 383.59168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=NN=C(N1C)SCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC1=NN=C(N1C)SCC(=O)O

InChI

InChI=1S/C20H37N3O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-22-20(23(18)2)26-17-19(24)25/h3-17H2,1-2H3,(H,24,25)