4-(5-chloranyl-2-oxidanyl-phenyl)-3-pyrimidin-2-ylsulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one

Systemtic Name: 4-(5-chloranyl-2-oxidanyl-phenyl)-3-pyrimidin-2-ylsulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one Openeye Name: 4-(5-chloro-2-hydroxy-phenyl)-3-pyrimidin-2-ylsulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one CAS Name: 4-(5-chloro-2-hydroxyphenyl)-3-(2-pyrimidinylthio)-6-(trifluoromethyl)-1H-quinolin-2-one IUPAC Name: 4-(5-chloro-2-hydroxyphenyl)-3-pyrimidin-2-ylsulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one Traditional Name: 4-(5-chloro-2-hydroxy-phenyl)-3-(2-pyrimidylthio)-6-(trifluoromethyl)carbostyril Formula: C20H11ClF3N3O2S MolecularWeight: 449.83345

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SC2=C(C3=C(C=CC(=C3)C(F)(F)F)NC2=O)C4=C(C=CC(=C4)Cl)O

Isomeric SMILES

C1=CN=C(N=C1)SC2=C(C3=C(C=CC(=C3)C(F)(F)F)NC2=O)C4=C(C=CC(=C4)Cl)O

InChI

InChI=1S/C20H11ClF3N3O2S/c21-11-3-5-15(28)13(9-11)16-12-8-10(20(22,23)24)2-4-14(12)27-18(29)17(16)30-19-25-6-1-7-26-19/h1-9,28H,(H,27,29)