3-(1,4,5-trimethylimidazol-2-yl)sulfanylpropanoate

Systemtic Name: 3-(1,4,5-trimethylimidazol-2-yl)sulfanylpropanoate Openeye Name: 3-(1,4,5-trimethylimidazol-2-yl)sulfanylpropanoate CAS Name: 3-[(1,4,5-trimethyl-2-imidazolyl)thio]propanoate IUPAC Name: 3-(1,4,5-trimethylimidazol-2-yl)sulfanylpropanoate Traditional Name: 3-[(1,4,5-trimethylimidazol-2-yl)thio]propionate Formula: C9H13N2O2S- MolecularWeight: 213.27672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCCC(=O)[O-])C)C

Isomeric SMILES

CC1=C(N(C(=N1)SCCC(=O)[O-])C)C

InChI

InChI=1S/C9H14N2O2S/c1-6-7(2)11(3)9(10-6)14-5-4-8(12)13/h4-5H2,1-3H3,(H,12,13)/p-1