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

Systemtic Name: methyl 4-[[4-(hydroxymethyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[4-(hydroxymethyl)-1-(p-tolylmethyl)imidazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-(hydroxymethyl)-1-[(4-methylphenyl)methyl]-2-imidazolyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(hydroxymethyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[1-(4-methylbenzyl)-4-methylol-imidazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(N=C2SCC3=CC=C(C=C3)C(=O)OC)CO

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(N=C2SCC3=CC=C(C=C3)C(=O)OC)CO

InChI

InChI=1S/C21H22N2O3S/c1-15-3-5-16(6-4-15)11-23-12-19(13-24)22-21(23)27-14-17-7-9-18(10-8-17)20(25)26-2/h3-10,12,24H,11,13-14H2,1-2H3