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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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