4-[(1,4,5-trimethylimidazol-2-yl)sulfanylmethyl]benzoate

Systemtic Name: 4-[(1,4,5-trimethylimidazol-2-yl)sulfanylmethyl]benzoate Openeye Name: 4-[(1,4,5-trimethylimidazol-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(1,4,5-trimethyl-2-imidazolyl)thio]methyl]benzoate IUPAC Name: 4-[(1,4,5-trimethylimidazol-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(1,4,5-trimethylimidazol-2-yl)thio]methyl]benzoate Formula: C14H15N2O2S- MolecularWeight: 275.3461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCC2=CC=C(C=C2)C(=O)[O-])C)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC2=CC=C(C=C2)C(=O)[O-])C)C

InChI

InChI=1S/C14H16N2O2S/c1-9-10(2)16(3)14(15-9)19-8-11-4-6-12(7-5-11)13(17)18/h4-7H,8H2,1-3H3,(H,17,18)/p-1