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

Systemtic Name: 2-[[4-[(2S)-pentan-2-yl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-[(1S)-1-methylbutyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-[(2S)-pentan-2-yl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-[(2S)-pentan-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-[(1S)-1-methylbutyl]-1,2,4-triazol-3-yl]thio]acetate Formula: C9H14N3O2S- MolecularWeight: 228.29136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H15N3O2S/c1-3-4-7(2)12-6-10-11-9(12)15-5-8(13)14/h6-7H,3-5H2,1-2H3,(H,13,14)/p-1/t7-/m0/s1