2-[1-(4-methylsulfanylphenyl)imidazol-2-yl]sulfanylethanoate

Systemtic Name: 2-[1-(4-methylsulfanylphenyl)imidazol-2-yl]sulfanylethanoate Openeye Name: 2-[1-(4-methylsulfanylphenyl)imidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-[4-(methylthio)phenyl]-2-imidazolyl]thio]acetate IUPAC Name: 2-[1-(4-methylsulfanylphenyl)imidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-[4-(methylthio)phenyl]imidazol-2-yl]thio]acetate Formula: C12H11N2O2S2- MolecularWeight: 279.35794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)N2C=CN=C2SCC(=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)N2C=CN=C2SCC(=O)[O-]

InChI

InChI=1S/C12H12N2O2S2/c1-17-10-4-2-9(3-5-10)14-7-6-13-12(14)18-8-11(15)16/h2-7H,8H2,1H3,(H,15,16)/p-1