5-heptyl-6-(4-methylphenyl)sulfanyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline

Systemtic Name: 5-heptyl-6-(4-methylphenyl)sulfanyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline Openeye Name: 5-heptyl-6-(p-tolylsulfanyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline CAS Name: 5-heptyl-6-[(4-methylphenyl)thio]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline IUPAC Name: 5-heptyl-6-(4-methylphenyl)sulfanyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline Traditional Name: 5-heptyl-6-(p-tolylthio)-7,8-dihydro-5H-[1,3]dioxol[4,5-g]isoquinoline Formula: C24H31NO2S MolecularWeight: 397.57344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C2=CC3=C(C=C2CCN1SC4=CC=C(C=C4)C)OCO3

Isomeric SMILES

CCCCCCCC1C2=CC3=C(C=C2CCN1SC4=CC=C(C=C4)C)OCO3

InChI

InChI=1S/C24H31NO2S/c1-3-4-5-6-7-8-22-21-16-24-23(26-17-27-24)15-19(21)13-14-25(22)28-20-11-9-18(2)10-12-20/h9-12,15-16,22H,3-8,13-14,17H2,1-2H3