2-[(1-isoquinolin-1-ylimidazol-2-yl)sulfinylmethyl]-N,N-dimethyl-aniline

Systemtic Name: 2-[(1-isoquinolin-1-ylimidazol-2-yl)sulfinylmethyl]-N,N-dimethyl-aniline Openeye Name: 2-[[1-(1-isoquinolyl)imidazol-2-yl]sulfinylmethyl]-N,N-dimethyl-aniline CAS Name: 2-[[1-(1-isoquinolinyl)-2-imidazolyl]sulfinylmethyl]-N,N-dimethylaniline IUPAC Name: 2-[(1-isoquinolin-1-ylimidazol-2-yl)sulfinylmethyl]-N,N-dimethylaniline Traditional Name: [2-[[1-(1-isoquinolyl)imidazol-2-yl]sulfinylmethyl]phenyl]-dimethyl-amine Formula: C21H20N4OS MolecularWeight: 376.4747

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC=C1CS(=O)C2=NC=CN2C3=NC=CC4=CC=CC=C43

Isomeric SMILES

CN(C)C1=CC=CC=C1CS(=O)C2=NC=CN2C3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C21H20N4OS/c1-24(2)19-10-6-4-8-17(19)15-27(26)21-23-13-14-25(21)20-18-9-5-3-7-16(18)11-12-22-20/h3-14H,15H2,1-2H3