4-[(4-tert-butylphenyl)sulfanylmethyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline

Systemtic Name: 4-[(4-tert-butylphenyl)sulfanylmethyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline Openeye Name: 4-[(4-tert-butylphenyl)sulfanylmethyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline CAS Name: 4-[[(4-tert-butylphenyl)thio]methyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline IUPAC Name: 4-[(4-tert-butylphenyl)sulfanylmethyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline Traditional Name: 4-[[(4-tert-butylphenyl)thio]methyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline Formula: C29H33NOS MolecularWeight: 443.64342

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C2=C(N1)C=CC(=C2)C3=CC=CC=C3OC)CSC4=CC=C(C=C4)C(C)(C)C)C

Isomeric SMILES

CC1(C=C(C2=C(N1)C=CC(=C2)C3=CC=CC=C3OC)CSC4=CC=C(C=C4)C(C)(C)C)C

InChI

InChI=1S/C29H33NOS/c1-28(2,3)22-12-14-23(15-13-22)32-19-21-18-29(4,5)30-26-16-11-20(17-25(21)26)24-9-7-8-10-27(24)31-6/h7-18,30H,19H2,1-6H3