1-[2-(phenylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]propan-1-one

Systemtic Name: 1-[2-(phenylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]propan-1-one Openeye Name: 1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)propan-1-one CAS Name: 1-[2-(phenylmethylthio)-4,5-dihydroimidazol-1-yl]-1-propanone IUPAC Name: 1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)propan-1-one Traditional Name: 1-[2-(benzylthio)-2-imidazolin-1-yl]propan-1-one Formula: C13H16N2OS MolecularWeight: 248.34394

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN=C1SCC2=CC=CC=C2

Isomeric SMILES

CCC(=O)N1CCN=C1SCC2=CC=CC=C2

InChI

InChI=1S/C13H16N2OS/c1-2-12(16)15-9-8-14-13(15)17-10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3