1-[3-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxidanyl-phenyl]ethanone

Systemtic Name: 1-[3-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxidanyl-phenyl]ethanone Openeye Name: 1-[4-hydroxy-3-[(1-methylimidazol-2-yl)sulfanylmethyl]phenyl]ethanone CAS Name: 1-[4-hydroxy-3-[[(1-methyl-2-imidazolyl)thio]methyl]phenyl]ethanone IUPAC Name: 1-[4-hydroxy-3-[(1-methylimidazol-2-yl)sulfanylmethyl]phenyl]ethanone Traditional Name: 1-[4-hydroxy-3-[[(1-methylimidazol-2-yl)thio]methyl]phenyl]ethanone Formula: C13H14N2O2S MolecularWeight: 262.32746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)O)CSC2=NC=CN2C

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)O)CSC2=NC=CN2C

InChI

InChI=1S/C13H14N2O2S/c1-9(16)10-3-4-12(17)11(7-10)8-18-13-14-5-6-15(13)2/h3-7,17H,8H2,1-2H3