3-[(1-ethyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 3-[(1-ethyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 3-[(1-ethyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]benzoic acid CAS Name: 3-[[(1-ethyl-4,5-dimethyl-2-imidazolyl)thio]methyl]benzoic acid IUPAC Name: 3-[(1-ethyl-4,5-dimethylimidazol-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 3-[[(1-ethyl-4,5-dimethyl-imidazol-2-yl)thio]methyl]benzoic acid Formula: C15H18N2O2S MolecularWeight: 290.38062

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(N=C1SCC2=CC=CC(=C2)C(=O)O)C)C

Isomeric SMILES

CCN1C(=C(N=C1SCC2=CC=CC(=C2)C(=O)O)C)C

InChI

InChI=1S/C15H18N2O2S/c1-4-17-11(3)10(2)16-15(17)20-9-12-6-5-7-13(8-12)14(18)19/h5-8H,4,9H2,1-3H3,(H,18,19)