(5E)-1-(3-chloranyl-2-methyl-phenyl)-5-[(2-fluoranyl-4-piperidin-1-yl-phenyl)methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5E)-1-(3-chloranyl-2-methyl-phenyl)-5-[(2-fluoranyl-4-piperidin-1-yl-phenyl)methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-1-(3-chloro-2-methyl-phenyl)-5-[[2-fluoro-4-(1-piperidyl)phenyl]methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-1-(3-chloro-2-methylphenyl)-5-[[2-fluoro-4-(1-piperidinyl)phenyl]methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-1-(3-chloro-2-methylphenyl)-5-[(2-fluoro-4-piperidin-1-ylphenyl)methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-1-(3-chloro-2-methyl-phenyl)-5-(2-fluoro-4-piperidino-benzylidene)-6-keto-2-thioxo-pyrimidin-4-olate Formula: C23H20ClFN3O2S- MolecularWeight: 456.940203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=O)C(=CC3=C(C=C(C=C3)N4CCCCC4)F)C(=NC2=S)[O-]

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=O)/C(=C/C3=C(C=C(C=C3)N4CCCCC4)F)/C(=NC2=S)[O-]

InChI

InChI=1S/C23H21ClFN3O2S/c1-14-18(24)6-5-7-20(14)28-22(30)17(21(29)26-23(28)31)12-15-8-9-16(13-19(15)25)27-10-3-2-4-11-27/h5-9,12-13H,2-4,10-11H2,1H3,(H,26,29,31)/p-1/b17-12+