1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(1,4,5-triphenylimidazol-2-yl)sulfanyl-butan-1-one

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(1,4,5-triphenylimidazol-2-yl)sulfanyl-butan-1-one Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(1,4,5-triphenylimidazol-2-yl)sulfanyl-butan-1-one CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-[(1,4,5-triphenyl-2-imidazolyl)thio]-1-butanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(1,4,5-triphenylimidazol-2-yl)sulfanylbutan-1-one Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-[(1,4,5-triphenylimidazol-2-yl)thio]butan-1-one Formula: C34H31N3OS MolecularWeight: 529.69444

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CCCSC3=NC(=C(N3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCCSC3=NC(=C(N3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C34H31N3OS/c38-31(36-23-22-26-13-10-11-18-29(26)25-36)21-12-24-39-34-35-32(27-14-4-1-5-15-27)33(28-16-6-2-7-17-28)37(34)30-19-8-3-9-20-30/h1-11,13-20H,12,21-25H2