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

Systemtic Name: 6-(3,4-dimethoxyphenyl)-2,2-dimethyl-4-(phenethylsulfanylmethyl)-1H-quinoline Openeye Name: 6-(3,4-dimethoxyphenyl)-2,2-dimethyl-4-(phenethylsulfanylmethyl)-1H-quinoline CAS Name: 6-(3,4-dimethoxyphenyl)-2,2-dimethyl-4-[(phenethylthio)methyl]-1H-quinoline IUPAC Name: 6-(3,4-dimethoxyphenyl)-2,2-dimethyl-4-(phenethylsulfanylmethyl)-1H-quinoline Traditional Name: 6-(3,4-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=CC(=C(C=C3)OC)OC)CSCCC4=CC=CC=C4)C

Isomeric SMILES

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

InChI

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