2-[[2-methylsulfanyl-1-(4-phenylmethoxyphenyl)imidazol-4-yl]methyl]prop-2-enal

Systemtic Name: 2-[[2-methylsulfanyl-1-(4-phenylmethoxyphenyl)imidazol-4-yl]methyl]prop-2-enal Openeye Name: 2-[[1-(4-benzyloxyphenyl)-2-methylsulfanyl-imidazol-4-yl]methyl]prop-2-enal CAS Name: 2-[[2-(methylthio)-1-(4-phenylmethoxyphenyl)-4-imidazolyl]methyl]-2-propenal IUPAC Name: 2-[[2-methylsulfanyl-1-(4-phenylmethoxyphenyl)imidazol-4-yl]methyl]prop-2-enal Traditional Name: 2-[[1-(4-benzoxyphenyl)-2-(methylthio)imidazol-4-yl]methyl]acrolein Formula: C21H20N2O2S MolecularWeight: 364.4607

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CN1C2=CC=C(C=C2)OCC3=CC=CC=C3)CC(=C)C=O

Isomeric SMILES

CSC1=NC(=CN1C2=CC=C(C=C2)OCC3=CC=CC=C3)CC(=C)C=O

InChI

InChI=1S/C21H20N2O2S/c1-16(14-24)12-18-13-23(21(22-18)26-2)19-8-10-20(11-9-19)25-15-17-6-4-3-5-7-17/h3-11,13-14H,1,12,15H2,2H3