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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C(C)C(C)C)SCC(=O)[O-]

Isomeric SMILES

CCC1=NN=C(N1[C@H](C)C(C)C)SCC(=O)[O-]

InChI

InChI=1S/C11H19N3O2S/c1-5-9-12-13-11(17-6-10(15)16)14(9)8(4)7(2)3/h7-8H,5-6H2,1-4H3,(H,15,16)/p-1/t8-/m1/s1