6-[(4-chlorophenyl)sulfanylmethyl]-2-[2-oxidanylidene-2-(2,2,4,6,7-pentamethylquinolin-1-yl)ethyl]sulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-[(4-chlorophenyl)sulfanylmethyl]-2-[2-oxidanylidene-2-(2,2,4,6,7-pentamethylquinolin-1-yl)ethyl]sulfanyl-1H-pyrimidin-4-one Openeye Name: 6-[(4-chlorophenyl)sulfanylmethyl]-2-[2-oxo-2-(2,2,4,6,7-pentamethyl-1-quinolyl)ethyl]sulfanyl-1H-pyrimidin-4-one CAS Name: 6-[[(4-chlorophenyl)thio]methyl]-2-[[2-oxo-2-(2,2,4,6,7-pentamethyl-1-quinolinyl)ethyl]thio]-1H-pyrimidin-4-one IUPAC Name: 6-[(4-chlorophenyl)sulfanylmethyl]-2-[2-oxo-2-(2,2,4,6,7-pentamethylquinolin-1-yl)ethyl]sulfanyl-1H-pyrimidin-4-one Traditional Name: 6-[[(4-chlorophenyl)thio]methyl]-2-[[2-keto-2-(2,2,4,6,7-pentamethyl-1-quinolyl)ethyl]thio]-1H-pyrimidin-4-one Formula: C27H28ClN3O2S2 MolecularWeight: 526.11312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(N2C(=O)CSC3=NC(=O)C=C(N3)CSC4=CC=C(C=C4)Cl)(C)C)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(N2C(=O)CSC3=NC(=O)C=C(N3)CSC4=CC=C(C=C4)Cl)(C)C)C)C

InChI

InChI=1S/C27H28ClN3O2S2/c1-16-10-22-18(3)13-27(4,5)31(23(22)11-17(16)2)25(33)15-35-26-29-20(12-24(32)30-26)14-34-21-8-6-19(28)7-9-21/h6-13H,14-15H2,1-5H3,(H,29,30,32)