2-[7-(4-fluorophenyl)-7-(4-methylphenyl)sulfanyl-heptyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[7-(4-fluorophenyl)-7-(4-methylphenyl)sulfanyl-heptyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[7-(4-fluorophenyl)-7-(p-tolylsulfanyl)heptyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[7-(4-fluorophenyl)-7-[(4-methylphenyl)thio]heptyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[7-(4-fluorophenyl)-7-(4-methylphenyl)sulfanylheptyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[7-(4-fluorophenyl)-7-(p-tolylthio)heptyl]-3,4-dihydro-1H-isoquinoline Formula: C29H34FNS MolecularWeight: 447.650363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(CCCCCCN2CCC3=CC=CC=C3C2)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)SC(CCCCCCN2CCC3=CC=CC=C3C2)C4=CC=C(C=C4)F

InChI

InChI=1S/C29H34FNS/c1-23-11-17-28(18-12-23)32-29(25-13-15-27(30)16-14-25)10-4-2-3-7-20-31-21-19-24-8-5-6-9-26(24)22-31/h5-6,8-9,11-18,29H,2-4,7,10,19-22H2,1H3