1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,4-diphenylimidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,4-diphenylimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,4-diphenylimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1,4-diphenyl-2-imidazolyl)thio]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,4-diphenylimidazol-2-yl)sulfanylethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1,4-diphenylimidazol-2-yl)thio]ethanone Formula: C26H23N3OS MolecularWeight: 425.54532

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC(=CN3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC(=CN3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H23N3OS/c30-25(28-16-15-20-9-7-8-12-22(20)17-28)19-31-26-27-24(21-10-3-1-4-11-21)18-29(26)23-13-5-2-6-14-23/h1-14,18H,15-17,19H2