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

Systemtic Name: 3-[bis(butylsulfanyl)methyl]-2-methyl-4-phenoxy-quinoline hydrochloride Openeye Name: 3-[bis(butylsulfanyl)methyl]-2-methyl-4-phenoxy-quinoline hydrochloride CAS Name: 3-[bis(butylthio)methyl]-2-methyl-4-phenoxyquinoline hydrochloride IUPAC Name: 3-[bis(butylsulfanyl)methyl]-2-methyl-4-phenoxyquinoline hydrochloride Traditional Name: 3-[bis(butylthio)methyl]-2-methyl-4-phenoxy-quinoline hydrochloride Formula: C25H32ClNOS2 MolecularWeight: 462.11068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(C1=C(C2=CC=CC=C2N=C1C)OC3=CC=CC=C3)SCCCC.Cl

Isomeric SMILES

CCCCSC(C1=C(C2=CC=CC=C2N=C1C)OC3=CC=CC=C3)SCCCC.Cl

InChI

InChI=1S/C25H31NOS2.ClH/c1-4-6-17-28-25(29-18-7-5-2)23-19(3)26-22-16-12-11-15-21(22)24(23)27-20-13-9-8-10-14-20;/h8-16,25H,4-7,17-18H2,1-3H3;1H