3-[bis(propan-2-ylsulfanyl)methyl]-2-methyl-4-phenoxy-quinoline hydrochloride

Systemtic Name: 3-[bis(propan-2-ylsulfanyl)methyl]-2-methyl-4-phenoxy-quinoline hydrochloride Openeye Name: 3-[bis(isopropylsulfanyl)methyl]-2-methyl-4-phenoxy-quinoline hydrochloride CAS Name: 3-[bis(propan-2-ylthio)methyl]-2-methyl-4-phenoxyquinoline hydrochloride IUPAC Name: 3-[bis(propan-2-ylsulfanyl)methyl]-2-methyl-4-phenoxyquinoline hydrochloride Traditional Name: 3-[bis(isopropylthio)methyl]-2-methyl-4-phenoxy-quinoline hydrochloride Formula: C23H28ClNOS2 MolecularWeight: 434.05752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1C(SC(C)C)SC(C)C)OC3=CC=CC=C3.Cl

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1C(SC(C)C)SC(C)C)OC3=CC=CC=C3.Cl

InChI

InChI=1S/C23H27NOS2.ClH/c1-15(2)26-23(27-16(3)4)21-17(5)24-20-14-10-9-13-19(20)22(21)25-18-11-7-6-8-12-18;/h6-16,23H,1-5H3;1H