4,6-dimethyl-2-[[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]methylsulfanyl]pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-[[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]methylsulfanyl]pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-2-[[3-[6-(1-methyl-1-methylsulfonyl-ethyl)-8-quinolyl]phenyl]methylsulfanyl]pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-[[3-[6-(2-methylsulfonylpropan-2-yl)-8-quinolinyl]phenyl]methylthio]-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-2-[[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]methylsulfanyl]pyridine-3-carbonitrile Traditional Name: 2-[[3-[6-(1-mesyl-1-methyl-ethyl)-8-quinolyl]benzyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C28H27N3O2S2 MolecularWeight: 501.66288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC2=CC=CC(=C2)C3=C4C(=CC(=C3)C(C)(C)S(=O)(=O)C)C=CC=N4)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC2=CC=CC(=C2)C3=C4C(=CC(=C3)C(C)(C)S(=O)(=O)C)C=CC=N4)C

InChI

InChI=1S/C28H27N3O2S2/c1-18-12-19(2)31-27(25(18)16-29)34-17-20-8-6-9-21(13-20)24-15-23(28(3,4)35(5,32)33)14-22-10-7-11-30-26(22)24/h6-15H,17H2,1-5H3