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

Systemtic Name: 6-(3-methoxyphenyl)-2,2-dimethyl-4-(phenethylsulfanylmethyl)-1H-quinoline Openeye Name: 6-(3-methoxyphenyl)-2,2-dimethyl-4-(phenethylsulfanylmethyl)-1H-quinoline CAS Name: 6-(3-methoxyphenyl)-2,2-dimethyl-4-[(phenethylthio)methyl]-1H-quinoline IUPAC Name: 6-(3-methoxyphenyl)-2,2-dimethyl-4-(phenethylsulfanylmethyl)-1H-quinoline Traditional Name: 6-(3-methoxyphenyl)-2,2-dimethyl-4-[(phenethylthio)methyl]-1H-quinoline Formula: C27H29NOS MolecularWeight: 415.59026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29NOS/c1-27(2)18-23(19-30-15-14-20-8-5-4-6-9-20)25-17-22(12-13-26(25)28-27)21-10-7-11-24(16-21)29-3/h4-13,16-18,28H,14-15,19H2,1-3H3