N-(3-chloranyl-4-methyl-phenyl)-2-[4-(hydroxymethyl)-1-(phenylmethyl)imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-[4-(hydroxymethyl)-1-(phenylmethyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: 2-[1-benzyl-4-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-(3-chloro-4-methyl-phenyl)acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[[4-(hydroxymethyl)-1-(phenylmethyl)-2-imidazolyl]thio]acetamide IUPAC Name: 2-[1-benzyl-4-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-(3-chloro-4-methylphenyl)acetamide Traditional Name: 2-[(1-benzyl-4-methylol-imidazol-2-yl)thio]-N-(3-chloro-4-methyl-phenyl)acetamide Formula: C20H20ClN3O2S MolecularWeight: 401.9097

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O2S/c1-14-7-8-16(9-18(14)21)22-19(26)13-27-20-23-17(12-25)11-24(20)10-15-5-3-2-4-6-15/h2-9,11,25H,10,12-13H2,1H3,(H,22,26)