2-[(1-ethyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]benzoate

Systemtic Name: 2-[(1-ethyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]benzoate Openeye Name: 2-[(1-ethyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]benzoate CAS Name: 2-[[(1-ethyl-4,5-dimethyl-2-imidazolyl)thio]methyl]benzoate IUPAC Name: 2-[(1-ethyl-4,5-dimethylimidazol-2-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(1-ethyl-4,5-dimethyl-imidazol-2-yl)thio]methyl]benzoate Formula: C15H17N2O2S- MolecularWeight: 289.37268

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(N=C1SCC2=CC=CC=C2C(=O)[O-])C)C

Isomeric SMILES

CCN1C(=C(N=C1SCC2=CC=CC=C2C(=O)[O-])C)C

InChI

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