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

Systemtic Name: 2-[bis(propylsulfanyl)methyl]-3-methyl-4-phenoxy-quinoline hydrochloride Openeye Name: 2-[bis(propylsulfanyl)methyl]-3-methyl-4-phenoxy-quinoline hydrochloride CAS Name: 2-[bis(propylthio)methyl]-3-methyl-4-phenoxyquinoline hydrochloride IUPAC Name: 2-[bis(propylsulfanyl)methyl]-3-methyl-4-phenoxyquinoline hydrochloride Traditional Name: 2-[bis(propylthio)methyl]-3-methyl-4-phenoxy-quinoline hydrochloride Formula: C23H28ClNOS2 MolecularWeight: 434.05752

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC(C1=NC2=CC=CC=C2C(=C1C)OC3=CC=CC=C3)SCCC.Cl

Isomeric SMILES

CCCSC(C1=NC2=CC=CC=C2C(=C1C)OC3=CC=CC=C3)SCCC.Cl

InChI

InChI=1S/C23H27NOS2.ClH/c1-4-15-26-23(27-16-5-2)21-17(3)22(25-18-11-7-6-8-12-18)19-13-9-10-14-20(19)24-21;/h6-14,23H,4-5,15-16H2,1-3H3;1H