2-[[4-(4-chlorophenyl)-6-fluoranyl-2-oxidanylidene-1H-quinolin-3-yl]sulfanyl]-6-methyl-5-prop-2-enyl-pyrimidin-4-olate

Systemtic Name: 2-[[4-(4-chlorophenyl)-6-fluoranyl-2-oxidanylidene-1H-quinolin-3-yl]sulfanyl]-6-methyl-5-prop-2-enyl-pyrimidin-4-olate Openeye Name: 5-allyl-2-[[4-(4-chlorophenyl)-6-fluoro-2-oxo-1H-quinolin-3-yl]sulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 2-[[4-(4-chlorophenyl)-6-fluoro-2-oxo-1H-quinolin-3-yl]thio]-6-methyl-5-prop-2-enyl-4-pyrimidinolate IUPAC Name: 2-[[4-(4-chlorophenyl)-6-fluoro-2-oxo-1H-quinolin-3-yl]sulfanyl]-6-methyl-5-prop-2-enylpyrimidin-4-olate Traditional Name: 5-allyl-2-[[4-(4-chlorophenyl)-6-fluoro-2-keto-1H-quinolin-3-yl]thio]-6-methyl-pyrimidin-4-olate Formula: C23H16ClFN3O2S- MolecularWeight: 452.908443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC2=C(C3=C(C=CC(=C3)F)NC2=O)C4=CC=C(C=C4)Cl)[O-])CC=C

Isomeric SMILES

CC1=C(C(=NC(=N1)SC2=C(C3=C(C=CC(=C3)F)NC2=O)C4=CC=C(C=C4)Cl)[O-])CC=C

InChI

InChI=1S/C23H17ClFN3O2S/c1-3-4-16-12(2)26-23(28-21(16)29)31-20-19(13-5-7-14(24)8-6-13)17-11-15(25)9-10-18(17)27-22(20)30/h3,5-11H,1,4H2,2H3,(H,27,30)(H,26,28,29)/p-1