2-[5-(hydroxymethyl)-2-phenethylsulfanyl-imidazol-1-yl]-N-[(4-methylphenyl)methyl]ethanamide

Systemtic Name: 2-[5-(hydroxymethyl)-2-phenethylsulfanyl-imidazol-1-yl]-N-[(4-methylphenyl)methyl]ethanamide Openeye Name: 2-[5-(hydroxymethyl)-2-phenethylsulfanyl-imidazol-1-yl]-N-(p-tolylmethyl)acetamide CAS Name: 2-[5-(hydroxymethyl)-2-(phenethylthio)-1-imidazolyl]-N-[(4-methylphenyl)methyl]acetamide IUPAC Name: 2-[5-(hydroxymethyl)-2-phenethylsulfanylimidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide Traditional Name: N-(4-methylbenzyl)-2-[5-methylol-2-(phenethylthio)imidazol-1-yl]acetamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CN2C(=CN=C2SCCC3=CC=CC=C3)CO

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CN2C(=CN=C2SCCC3=CC=CC=C3)CO

InChI

InChI=1S/C22H25N3O2S/c1-17-7-9-19(10-8-17)13-23-21(27)15-25-20(16-26)14-24-22(25)28-12-11-18-5-3-2-4-6-18/h2-10,14,26H,11-13,15-16H2,1H3,(H,23,27)