2-[[2-[bis(propan-2-ylsulfanyl)methyl]phenoxy]methyl]quinoline hydrochloride

Systemtic Name: 2-[[2-[bis(propan-2-ylsulfanyl)methyl]phenoxy]methyl]quinoline hydrochloride Openeye Name: 2-[[2-[bis(isopropylsulfanyl)methyl]phenoxy]methyl]quinoline hydrochloride CAS Name: 2-[[2-[bis(propan-2-ylthio)methyl]phenoxy]methyl]quinoline hydrochloride IUPAC Name: 2-[[2-[bis(propan-2-ylsulfanyl)methyl]phenoxy]methyl]quinoline hydrochloride Traditional Name: 2-[[2-[bis(isopropylthio)methyl]phenoxy]methyl]quinoline hydrochloride Formula: C23H28ClNOS2 MolecularWeight: 434.05752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC(C1=CC=CC=C1OCC2=NC3=CC=CC=C3C=C2)SC(C)C.Cl

Isomeric SMILES

CC(C)SC(C1=CC=CC=C1OCC2=NC3=CC=CC=C3C=C2)SC(C)C.Cl

InChI

InChI=1S/C23H27NOS2.ClH/c1-16(2)26-23(27-17(3)4)20-10-6-8-12-22(20)25-15-19-14-13-18-9-5-7-11-21(18)24-19;/h5-14,16-17,23H,15H2,1-4H3;1H