2-[4-(hydroxymethyl)-1-(phenylmethyl)imidazol-2-yl]sulfanyl-N-propyl-ethanamide

Systemtic Name: 2-[4-(hydroxymethyl)-1-(phenylmethyl)imidazol-2-yl]sulfanyl-N-propyl-ethanamide Openeye Name: 2-[1-benzyl-4-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-propyl-acetamide CAS Name: 2-[[4-(hydroxymethyl)-1-(phenylmethyl)-2-imidazolyl]thio]-N-propylacetamide IUPAC Name: 2-[1-benzyl-4-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-propylacetamide Traditional Name: 2-[(1-benzyl-4-methylol-imidazol-2-yl)thio]-N-propyl-acetamide Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NC(=CN1CC2=CC=CC=C2)CO

Isomeric SMILES

CCCNC(=O)CSC1=NC(=CN1CC2=CC=CC=C2)CO

InChI

InChI=1S/C16H21N3O2S/c1-2-8-17-15(21)12-22-16-18-14(11-20)10-19(16)9-13-6-4-3-5-7-13/h3-7,10,20H,2,8-9,11-12H2,1H3,(H,17,21)