1-(3-imidazol-1-yl-4-phenylsulfanyl-phenyl)propan-1-one

Systemtic Name: 1-(3-imidazol-1-yl-4-phenylsulfanyl-phenyl)propan-1-one Openeye Name: 1-(3-imidazol-1-yl-4-phenylsulfanyl-phenyl)propan-1-one CAS Name: 1-[3-(1-imidazolyl)-4-(phenylthio)phenyl]-1-propanone IUPAC Name: 1-(3-imidazol-1-yl-4-phenylsulfanylphenyl)propan-1-one Traditional Name: 1-[3-imidazol-1-yl-4-(phenylthio)phenyl]propan-1-one Formula: C18H16N2OS MolecularWeight: 308.39744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2)N3C=CN=C3

Isomeric SMILES

CCC(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2)N3C=CN=C3

InChI

InChI=1S/C18H16N2OS/c1-2-17(21)14-8-9-18(22-15-6-4-3-5-7-15)16(12-14)20-11-10-19-13-20/h3-13H,2H2,1H3