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

Systemtic Name: methyl 4-[(1-methylimidazol-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(1-methylimidazol-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(1-methyl-2-imidazolyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-methylimidazol-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(1-methylimidazol-2-yl)thio]methyl]benzoic acid methyl ester Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CN1C=CN=C1SCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C13H14N2O2S/c1-15-8-7-14-13(15)18-9-10-3-5-11(6-4-10)12(16)17-2/h3-8H,9H2,1-2H3