methyl 3-[[5-(hydroxymethyl)-1-phenethyl-imidazol-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[[5-(hydroxymethyl)-1-phenethyl-imidazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[5-(hydroxymethyl)-1-phenethyl-imidazol-2-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[5-(hydroxymethyl)-1-phenethyl-2-imidazolyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[5-(hydroxymethyl)-1-phenethylimidazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[(5-methylol-1-phenethyl-imidazol-2-yl)thio]methyl]benzoic acid methyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSC2=NC=C(N2CCC3=CC=CC=C3)CO

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSC2=NC=C(N2CCC3=CC=CC=C3)CO

InChI

InChI=1S/C21H22N2O3S/c1-26-20(25)18-9-5-8-17(12-18)15-27-21-22-13-19(14-24)23(21)11-10-16-6-3-2-4-7-16/h2-9,12-13,24H,10-11,14-15H2,1H3