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

Systemtic Name: 6-(2-methylsulfonylpropan-2-yl)-8-[3-(pyrimidin-2-ylsulfanylmethyl)phenyl]quinoline Openeye Name: 6-(1-methyl-1-methylsulfonyl-ethyl)-8-[3-(pyrimidin-2-ylsulfanylmethyl)phenyl]quinoline CAS Name: 6-(2-methylsulfonylpropan-2-yl)-8-[3-[(2-pyrimidinylthio)methyl]phenyl]quinoline IUPAC Name: 6-(2-methylsulfonylpropan-2-yl)-8-[3-(pyrimidin-2-ylsulfanylmethyl)phenyl]quinoline Traditional Name: 6-(1-mesyl-1-methyl-ethyl)-8-[3-[(2-pyrimidylthio)methyl]phenyl]quinoline Formula: C24H23N3O2S2 MolecularWeight: 449.58832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)CSC4=NC=CC=N4)S(=O)(=O)C

Isomeric SMILES

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)CSC4=NC=CC=N4)S(=O)(=O)C

InChI

InChI=1S/C24H23N3O2S2/c1-24(2,31(3,28)29)20-14-19-9-5-10-25-22(19)21(15-20)18-8-4-7-17(13-18)16-30-23-26-11-6-12-27-23/h4-15H,16H2,1-3H3