2-[4-(hydroxymethyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanyl-N-phenethyl-ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(N=C2SCC(=O)NCCC3=CC=CC=C3)CO

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(N=C2SCC(=O)NCCC3=CC=CC=C3)CO

InChI

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