1-[3,4-bis(oxidanyl)phenyl]-2-[1-(phenylmethyl)imidazol-2-yl]sulfanyl-ethanone

Systemtic Name: 1-[3,4-bis(oxidanyl)phenyl]-2-[1-(phenylmethyl)imidazol-2-yl]sulfanyl-ethanone Openeye Name: 2-(1-benzylimidazol-2-yl)sulfanyl-1-(3,4-dihydroxyphenyl)ethanone CAS Name: 1-(3,4-dihydroxyphenyl)-2-[[1-(phenylmethyl)-2-imidazolyl]thio]ethanone IUPAC Name: 2-(1-benzylimidazol-2-yl)sulfanyl-1-(3,4-dihydroxyphenyl)ethanone Traditional Name: 2-[(1-benzylimidazol-2-yl)thio]-1-(3,4-dihydroxyphenyl)ethanone Formula: C18H16N2O3S MolecularWeight: 340.39624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=CN=C2SCC(=O)C3=CC(=C(C=C3)O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=CN=C2SCC(=O)C3=CC(=C(C=C3)O)O

InChI

InChI=1S/C18H16N2O3S/c21-15-7-6-14(10-16(15)22)17(23)12-24-18-19-8-9-20(18)11-13-4-2-1-3-5-13/h1-10,21-22H,11-12H2