methyl 4-[[4-(hydroxymethyl)-1-(phenylmethyl)imidazol-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[4-(hydroxymethyl)-1-(phenylmethyl)imidazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[1-benzyl-4-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-(hydroxymethyl)-1-(phenylmethyl)-2-imidazolyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-benzyl-4-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[(1-benzyl-4-methylol-imidazol-2-yl)thio]methyl]benzoic acid methyl ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC(=CN2CC3=CC=CC=C3)CO

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC(=CN2CC3=CC=CC=C3)CO

InChI

InChI=1S/C20H20N2O3S/c1-25-19(24)17-9-7-16(8-10-17)14-26-20-21-18(13-23)12-22(20)11-15-5-3-2-4-6-15/h2-10,12,23H,11,13-14H2,1H3