6-(2-methylsulfonylpropan-2-yl)-8-[3-(pyridin-4-ylsulfanylmethyl)phenyl]quinoline

Systemtic Name: 6-(2-methylsulfonylpropan-2-yl)-8-[3-(pyridin-4-ylsulfanylmethyl)phenyl]quinoline Openeye Name: 6-(1-methyl-1-methylsulfonyl-ethyl)-8-[3-(4-pyridylsulfanylmethyl)phenyl]quinoline CAS Name: 6-(2-methylsulfonylpropan-2-yl)-8-[3-[(pyridin-4-ylthio)methyl]phenyl]quinoline IUPAC Name: 6-(2-methylsulfonylpropan-2-yl)-8-[3-(pyridin-4-ylsulfanylmethyl)phenyl]quinoline Traditional Name: 6-(1-mesyl-1-methyl-ethyl)-8-[3-[(4-pyridylthio)methyl]phenyl]quinoline Formula: C25H24N2O2S2 MolecularWeight: 448.60026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)CSC4=CC=NC=C4)S(=O)(=O)C

Isomeric SMILES

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)CSC4=CC=NC=C4)S(=O)(=O)C

InChI

InChI=1S/C25H24N2O2S2/c1-25(2,31(3,28)29)21-15-20-8-5-11-27-24(20)23(16-21)19-7-4-6-18(14-19)17-30-22-9-12-26-13-10-22/h4-16H,17H2,1-3H3