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

Systemtic Name: 2-[[4-[(2S)-pentan-2-yl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-[(1S)-1-methylbutyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-[(2S)-pentan-2-yl]-5-phenyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-[(2S)-pentan-2-yl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-[(1S)-1-methylbutyl]-5-phenyl-1,2,4-triazol-3-yl]thio]acetate Formula: C15H18N3O2S- MolecularWeight: 304.38732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O2S/c1-3-7-11(2)18-14(12-8-5-4-6-9-12)16-17-15(18)21-10-13(19)20/h4-6,8-9,11H,3,7,10H2,1-2H3,(H,19,20)/p-1/t11-/m0/s1