N-ethyl-2-[5-(hydroxymethyl)-2-phenethylsulfanyl-imidazol-1-yl]ethanamide

Systemtic Name: N-ethyl-2-[5-(hydroxymethyl)-2-phenethylsulfanyl-imidazol-1-yl]ethanamide Openeye Name: N-ethyl-2-[5-(hydroxymethyl)-2-phenethylsulfanyl-imidazol-1-yl]acetamide CAS Name: N-ethyl-2-[5-(hydroxymethyl)-2-(phenethylthio)-1-imidazolyl]acetamide IUPAC Name: N-ethyl-2-[5-(hydroxymethyl)-2-phenethylsulfanylimidazol-1-yl]acetamide Traditional Name: N-ethyl-2-[5-methylol-2-(phenethylthio)imidazol-1-yl]acetamide Formula: C16H21N3O2S MolecularWeight: 319.42184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CN1C(=CN=C1SCCC2=CC=CC=C2)CO

Isomeric SMILES

CCNC(=O)CN1C(=CN=C1SCCC2=CC=CC=C2)CO

InChI

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