6-(2-methoxyphenyl)-2,2-dimethyl-4-[2-(1-phenylethylsulfanyl)ethyl]-1H-quinoline

Systemtic Name: 6-(2-methoxyphenyl)-2,2-dimethyl-4-[2-(1-phenylethylsulfanyl)ethyl]-1H-quinoline Openeye Name: 6-(2-methoxyphenyl)-2,2-dimethyl-4-[2-(1-phenylethylsulfanyl)ethyl]-1H-quinoline CAS Name: 6-(2-methoxyphenyl)-2,2-dimethyl-4-[2-(1-phenylethylthio)ethyl]-1H-quinoline IUPAC Name: 6-(2-methoxyphenyl)-2,2-dimethyl-4-[2-(1-phenylethylsulfanyl)ethyl]-1H-quinoline Traditional Name: 6-(2-methoxyphenyl)-2,2-dimethyl-4-[2-(1-phenylethylthio)ethyl]-1H-quinoline Formula: C28H31NOS MolecularWeight: 429.61684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)SCCC2=CC(NC3=C2C=C(C=C3)C4=CC=CC=C4OC)(C)C

Isomeric SMILES

CC(C1=CC=CC=C1)SCCC2=CC(NC3=C2C=C(C=C3)C4=CC=CC=C4OC)(C)C

InChI

InChI=1S/C28H31NOS/c1-20(21-10-6-5-7-11-21)31-17-16-23-19-28(2,3)29-26-15-14-22(18-25(23)26)24-12-8-9-13-27(24)30-4/h5-15,18-20,29H,16-17H2,1-4H3