2-[[2-[bis(butylsulfanyl)methyl]phenoxy]methyl]quinoline hydrochloride

Systemtic Name: 2-[[2-[bis(butylsulfanyl)methyl]phenoxy]methyl]quinoline hydrochloride Openeye Name: 2-[[2-[bis(butylsulfanyl)methyl]phenoxy]methyl]quinoline hydrochloride CAS Name: 2-[[2-[bis(butylthio)methyl]phenoxy]methyl]quinoline hydrochloride IUPAC Name: 2-[[2-[bis(butylsulfanyl)methyl]phenoxy]methyl]quinoline hydrochloride Traditional Name: 2-[[2-[bis(butylthio)methyl]phenoxy]methyl]quinoline hydrochloride Formula: C25H32ClNOS2 MolecularWeight: 462.11068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(C1=CC=CC=C1OCC2=NC3=CC=CC=C3C=C2)SCCCC.Cl

Isomeric SMILES

CCCCSC(C1=CC=CC=C1OCC2=NC3=CC=CC=C3C=C2)SCCCC.Cl

InChI

InChI=1S/C25H31NOS2.ClH/c1-3-5-17-28-25(29-18-6-4-2)22-12-8-10-14-24(22)27-19-21-16-15-20-11-7-9-13-23(20)26-21;/h7-16,25H,3-6,17-19H2,1-2H3;1H