6-(2,3-dimethoxyphenyl)-2,2-dimethyl-4-(phenethylsulfanylmethyl)-1H-quinoline

Systemtic Name: 6-(2,3-dimethoxyphenyl)-2,2-dimethyl-4-(phenethylsulfanylmethyl)-1H-quinoline Openeye Name: 6-(2,3-dimethoxyphenyl)-2,2-dimethyl-4-(phenethylsulfanylmethyl)-1H-quinoline CAS Name: 6-(2,3-dimethoxyphenyl)-2,2-dimethyl-4-[(phenethylthio)methyl]-1H-quinoline IUPAC Name: 6-(2,3-dimethoxyphenyl)-2,2-dimethyl-4-(phenethylsulfanylmethyl)-1H-quinoline Traditional Name: 6-(2,3-dimethoxyphenyl)-2,2-dimethyl-4-[(phenethylthio)methyl]-1H-quinoline Formula: C28H31NO2S MolecularWeight: 445.61624

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C2=C(N1)C=CC(=C2)C3=C(C(=CC=C3)OC)OC)CSCCC4=CC=CC=C4)C

Isomeric SMILES

CC1(C=C(C2=C(N1)C=CC(=C2)C3=C(C(=CC=C3)OC)OC)CSCCC4=CC=CC=C4)C

InChI

InChI=1S/C28H31NO2S/c1-28(2)18-22(19-32-16-15-20-9-6-5-7-10-20)24-17-21(13-14-25(24)29-28)23-11-8-12-26(30-3)27(23)31-4/h5-14,17-18,29H,15-16,19H2,1-4H3