6-[(4-chlorophenyl)sulfanylmethyl]-2-[2-oxidanylidene-2-(2,2,4-trimethylquinolin-1-yl)ethyl]sulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-[(4-chlorophenyl)sulfanylmethyl]-2-[2-oxidanylidene-2-(2,2,4-trimethylquinolin-1-yl)ethyl]sulfanyl-1H-pyrimidin-4-one Openeye Name: 6-[(4-chlorophenyl)sulfanylmethyl]-2-[2-oxo-2-(2,2,4-trimethyl-1-quinolyl)ethyl]sulfanyl-1H-pyrimidin-4-one CAS Name: 6-[[(4-chlorophenyl)thio]methyl]-2-[[2-oxo-2-(2,2,4-trimethyl-1-quinolinyl)ethyl]thio]-1H-pyrimidin-4-one IUPAC Name: 6-[(4-chlorophenyl)sulfanylmethyl]-2-[2-oxo-2-(2,2,4-trimethylquinolin-1-yl)ethyl]sulfanyl-1H-pyrimidin-4-one Traditional Name: 6-[[(4-chlorophenyl)thio]methyl]-2-[[2-keto-2-(2,2,4-trimethyl-1-quinolyl)ethyl]thio]-1H-pyrimidin-4-one Formula: C25H24ClN3O2S2 MolecularWeight: 498.05996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(N(C2=CC=CC=C12)C(=O)CSC3=NC(=O)C=C(N3)CSC4=CC=C(C=C4)Cl)(C)C

Isomeric SMILES

CC1=CC(N(C2=CC=CC=C12)C(=O)CSC3=NC(=O)C=C(N3)CSC4=CC=C(C=C4)Cl)(C)C

InChI

InChI=1S/C25H24ClN3O2S2/c1-16-13-25(2,3)29(21-7-5-4-6-20(16)21)23(31)15-33-24-27-18(12-22(30)28-24)14-32-19-10-8-17(26)9-11-19/h4-13H,14-15H2,1-3H3,(H,27,28,30)