2-[[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]methylsulfanyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]methylsulfanyl]-1H-quinazolin-4-one Openeye Name: 2-[[3-[6-(1-methyl-1-methylsulfonyl-ethyl)-8-quinolyl]phenyl]methylsulfanyl]-1H-quinazolin-4-one CAS Name: 2-[[3-[6-(2-methylsulfonylpropan-2-yl)-8-quinolinyl]phenyl]methylthio]-1H-quinazolin-4-one IUPAC Name: 2-[[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]methylsulfanyl]-1H-quinazolin-4-one Traditional Name: 2-[[3-[6-(1-mesyl-1-methyl-ethyl)-8-quinolyl]benzyl]thio]-1H-quinazolin-4-one Formula: C28H25N3O3S2 MolecularWeight: 515.6464

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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(=O)C5=CC=CC=C5N4)S(=O)(=O)C

Isomeric SMILES

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)CSC4=NC(=O)C5=CC=CC=C5N4)S(=O)(=O)C

InChI

InChI=1S/C28H25N3O3S2/c1-28(2,36(3,33)34)21-15-20-10-7-13-29-25(20)23(16-21)19-9-6-8-18(14-19)17-35-27-30-24-12-5-4-11-22(24)26(32)31-27/h4-16H,17H2,1-3H3,(H,30,31,32)