6-(2-methoxyphenyl)-2,2-dimethyl-4-(1-phenethylsulfanylethyl)-1H-quinoline; 2-phenylethanethiol

Systemtic Name: 6-(2-methoxyphenyl)-2,2-dimethyl-4-(1-phenethylsulfanylethyl)-1H-quinoline; 2-phenylethanethiol Openeye Name: 6-(2-methoxyphenyl)-2,2-dimethyl-4-(1-phenethylsulfanylethyl)-1H-quinoline; 2-phenylethanethiol CAS Name: 6-(2-methoxyphenyl)-2,2-dimethyl-4-[1-(phenethylthio)ethyl]-1H-quinoline; 2-phenylethanethiol IUPAC Name: 6-(2-methoxyphenyl)-2,2-dimethyl-4-(1-phenethylsulfanylethyl)-1H-quinoline; 2-phenylethanethiol Traditional Name: 6-(2-methoxyphenyl)-2,2-dimethyl-4-[1-(phenethylthio)ethyl]-1H-quinoline; 2-phenylethanethiol Formula: C36H41NOS2 MolecularWeight: 567.84684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(NC2=C1C=C(C=C2)C3=CC=CC=C3OC)(C)C)SCCC4=CC=CC=C4.C1=CC=C(C=C1)CCS

Isomeric SMILES

CC(C1=CC(NC2=C1C=C(C=C2)C3=CC=CC=C3OC)(C)C)SCCC4=CC=CC=C4.C1=CC=C(C=C1)CCS

InChI

InChI=1S/C28H31NOS.C8H10S/c1-20(31-17-16-21-10-6-5-7-11-21)25-19-28(2,3)29-26-15-14-22(18-24(25)26)23-12-8-9-13-27(23)30-4;9-7-6-8-4-2-1-3-5-8/h5-15,18-20,29H,16-17H2,1-4H3;1-5,9H,6-7H2