2-[[2-[bis(pentylsulfanyl)methyl]phenoxy]methyl]quinoline

Systemtic Name: 2-[[2-[bis(pentylsulfanyl)methyl]phenoxy]methyl]quinoline Openeye Name: 2-[[2-[bis(pentylsulfanyl)methyl]phenoxy]methyl]quinoline CAS Name: 2-[[2-[bis(pentylthio)methyl]phenoxy]methyl]quinoline IUPAC Name: 2-[[2-[bis(pentylsulfanyl)methyl]phenoxy]methyl]quinoline Traditional Name: 2-[[2-[bis(amylthio)methyl]phenoxy]methyl]quinoline Formula: C27H35NOS2 MolecularWeight: 453.7029

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC(C1=CC=CC=C1OCC2=NC3=CC=CC=C3C=C2)SCCCCC

Isomeric SMILES

CCCCCSC(C1=CC=CC=C1OCC2=NC3=CC=CC=C3C=C2)SCCCCC

InChI

InChI=1S/C27H35NOS2/c1-3-5-11-19-30-27(31-20-12-6-4-2)24-14-8-10-16-26(24)29-21-23-18-17-22-13-7-9-15-25(22)28-23/h7-10,13-18,27H,3-6,11-12,19-21H2,1-2H3