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

Systemtic Name: 2-[[4-[(2S)-pentan-2-yl]-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-[(1S)-1-methylbutyl]-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-[(2S)-pentan-2-yl]-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-[(2S)-pentan-2-yl]-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-[(1S)-1-methylbutyl]-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C13H16N3O2S2- MolecularWeight: 310.41504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N1C(=NN=C1SCC(=O)[O-])C2=CC=CS2

Isomeric SMILES

CCC[C@H](C)N1C(=NN=C1SCC(=O)[O-])C2=CC=CS2

InChI

InChI=1S/C13H17N3O2S2/c1-3-5-9(2)16-12(10-6-4-7-19-10)14-15-13(16)20-8-11(17)18/h4,6-7,9H,3,5,8H2,1-2H3,(H,17,18)/p-1/t9-/m0/s1