N-(3,5-dimethylphenyl)-2-[4-(hydroxymethyl)-1-(phenylmethyl)imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-[4-(hydroxymethyl)-1-(phenylmethyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: 2-[1-benzyl-4-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide CAS Name: N-(3,5-dimethylphenyl)-2-[[4-(hydroxymethyl)-1-(phenylmethyl)-2-imidazolyl]thio]acetamide IUPAC Name: 2-[1-benzyl-4-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide Traditional Name: 2-[(1-benzyl-4-methylol-imidazol-2-yl)thio]-N-(3,5-dimethylphenyl)acetamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CSC2=NC(=CN2CC3=CC=CC=C3)CO)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CSC2=NC(=CN2CC3=CC=CC=C3)CO)C

InChI

InChI=1S/C21H23N3O2S/c1-15-8-16(2)10-18(9-15)22-20(26)14-27-21-23-19(13-25)12-24(21)11-17-6-4-3-5-7-17/h3-10,12,25H,11,13-14H2,1-2H3,(H,22,26)