2-[[5-ethyl-4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-ethyl-4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-ethyl-4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-ethyl-4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-ethyl-4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[(5-ethyl-4-mesityl-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:

CCC1=NN=C(N1C2=C(C=C(C=C2C)C)C)SCC(=O)[O-]

Isomeric SMILES

CCC1=NN=C(N1C2=C(C=C(C=C2C)C)C)SCC(=O)[O-]

InChI

InChI=1S/C15H19N3O2S/c1-5-12-16-17-15(21-8-13(19)20)18(12)14-10(3)6-9(2)7-11(14)4/h6-7H,5,8H2,1-4H3,(H,19,20)/p-1