2-[(5-dec-9-enyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: 2-[(5-dec-9-enyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-[(5-dec-9-enyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-dec-9-enyl-1H-1,2,4-triazol-3-yl)thio]acetate IUPAC Name: 2-[(5-dec-9-enyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-dec-9-enyl-1H-1,2,4-triazol-3-yl)thio]acetate Formula: C14H22N3O2S- MolecularWeight: 296.40838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCCCCCCCCC1=NC(=NN1)SCC(=O)[O-]

Isomeric SMILES

C=CCCCCCCCCC1=NC(=NN1)SCC(=O)[O-]

InChI

InChI=1S/C14H23N3O2S/c1-2-3-4-5-6-7-8-9-10-12-15-14(17-16-12)20-11-13(18)19/h2H,1,3-11H2,(H,18,19)(H,15,16,17)/p-1