2-[(4-cyclooctyl-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2CCCCCCC2)SCC(=O)[O-]

Isomeric SMILES

CCC1=NN=C(N1C2CCCCCCC2)SCC(=O)[O-]

InChI

InChI=1S/C14H23N3O2S/c1-2-12-15-16-14(20-10-13(18)19)17(12)11-8-6-4-3-5-7-9-11/h11H,2-10H2,1H3,(H,18,19)/p-1