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

Systemtic Name: 2-[[5-ethyl-4-[(2S)-pentan-2-yl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-ethyl-4-[(1S)-1-methylbutyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-ethyl-4-[(2S)-pentan-2-yl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-ethyl-4-[(2S)-pentan-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-ethyl-4-[(1S)-1-methylbutyl]-1,2,4-triazol-3-yl]thio]acetate Formula: C11H18N3O2S- MolecularWeight: 256.34452

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N1C(=NN=C1SCC(=O)[O-])CC

Isomeric SMILES

CCC[C@H](C)N1C(=NN=C1SCC(=O)[O-])CC

InChI

InChI=1S/C11H19N3O2S/c1-4-6-8(3)14-9(5-2)12-13-11(14)17-7-10(15)16/h8H,4-7H2,1-3H3,(H,15,16)/p-1/t8-/m0/s1