2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylethanoate

Systemtic Name: 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylethanoate Openeye Name: 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-(3,5-dimethylphenyl)-2-imidazolyl]thio]acetate IUPAC Name: 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-(3,5-dimethylphenyl)imidazol-2-yl]thio]acetate Formula: C13H13N2O2S- MolecularWeight: 261.31952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C=CN=C2SCC(=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C=CN=C2SCC(=O)[O-])C

InChI

InChI=1S/C13H14N2O2S/c1-9-5-10(2)7-11(6-9)15-4-3-14-13(15)18-8-12(16)17/h3-7H,8H2,1-2H3,(H,16,17)/p-1