6,7-dimethoxy-4-[4-[3-(3-methylphenoxy)propylsulfanyl]phenoxy]quinoline

Systemtic Name: 6,7-dimethoxy-4-[4-[3-(3-methylphenoxy)propylsulfanyl]phenoxy]quinoline Openeye Name: 6,7-dimethoxy-4-[4-[3-(3-methylphenoxy)propylsulfanyl]phenoxy]quinoline CAS Name: 6,7-dimethoxy-4-[4-[3-(3-methylphenoxy)propylthio]phenoxy]quinoline IUPAC Name: 6,7-dimethoxy-4-[4-[3-(3-methylphenoxy)propylsulfanyl]phenoxy]quinoline Traditional Name: 6,7-dimethoxy-4-[4-[3-(3-methylphenoxy)propylthio]phenoxy]quinoline Formula: C27H27NO4S MolecularWeight: 461.57258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCSC2=CC=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)OCCCSC2=CC=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC

InChI

InChI=1S/C27H27NO4S/c1-19-6-4-7-21(16-19)31-14-5-15-33-22-10-8-20(9-11-22)32-25-12-13-28-24-18-27(30-3)26(29-2)17-23(24)25/h4,6-13,16-18H,5,14-15H2,1-3H3