4-[(1-methylimidazol-2-yl)sulfanylmethyl]benzoate

Systemtic Name: 4-[(1-methylimidazol-2-yl)sulfanylmethyl]benzoate Openeye Name: 4-[(1-methylimidazol-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(1-methyl-2-imidazolyl)thio]methyl]benzoate IUPAC Name: 4-[(1-methylimidazol-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(1-methylimidazol-2-yl)thio]methyl]benzoate Formula: C12H11N2O2S- MolecularWeight: 247.29294

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CN1C=CN=C1SCC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C12H12N2O2S/c1-14-7-6-13-12(14)17-8-9-2-4-10(5-3-9)11(15)16/h2-7H,8H2,1H3,(H,15,16)/p-1