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

Systemtic Name: 3-[bis(phenylsulfanyl)methyl]-2-methyl-4-phenoxy-quinoline hydrochloride Openeye Name: 3-[bis(phenylsulfanyl)methyl]-2-methyl-4-phenoxy-quinoline hydrochloride CAS Name: 3-[bis(phenylthio)methyl]-2-methyl-4-phenoxyquinoline hydrochloride IUPAC Name: 3-[bis(phenylsulfanyl)methyl]-2-methyl-4-phenoxyquinoline hydrochloride Traditional Name: 3-[bis(phenylthio)methyl]-2-methyl-4-phenoxy-quinoline hydrochloride Formula: C29H24ClNOS2 MolecularWeight: 502.08996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1C(SC3=CC=CC=C3)SC4=CC=CC=C4)OC5=CC=CC=C5.Cl

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1C(SC3=CC=CC=C3)SC4=CC=CC=C4)OC5=CC=CC=C5.Cl

InChI

InChI=1S/C29H23NOS2.ClH/c1-21-27(29(32-23-15-7-3-8-16-23)33-24-17-9-4-10-18-24)28(31-22-13-5-2-6-14-22)25-19-11-12-20-26(25)30-21;/h2-20,29H,1H3;1H