1-[2-[(4-fluorophenyl)methylsulfanyl]-2-methyl-propyl]-4-oxidanylidene-3-(phenylmethyl)pyridin-2-olate

Systemtic Name: 1-[2-[(4-fluorophenyl)methylsulfanyl]-2-methyl-propyl]-4-oxidanylidene-3-(phenylmethyl)pyridin-2-olate Openeye Name: 3-benzyl-1-[2-[(4-fluorophenyl)methylsulfanyl]-2-methyl-propyl]-4-oxo-pyridin-2-olate CAS Name: 1-[2-[(4-fluorophenyl)methylthio]-2-methylpropyl]-4-oxo-3-(phenylmethyl)-2-pyridinolate IUPAC Name: 3-benzyl-1-[2-[(4-fluorophenyl)methylsulfanyl]-2-methylpropyl]-4-oxopyridin-2-olate Traditional Name: 3-benzyl-1-[2-[(4-fluorobenzyl)thio]-2-methyl-propyl]-4-keto-pyridin-2-olate Formula: C23H23FNO2S- MolecularWeight: 396.497623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1C=CC(=O)C(=C1[O-])CC2=CC=CC=C2)SCC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(CN1C=CC(=O)C(=C1[O-])CC2=CC=CC=C2)SCC3=CC=C(C=C3)F

InChI

InChI=1S/C23H24FNO2S/c1-23(2,28-15-18-8-10-19(24)11-9-18)16-25-13-12-21(26)20(22(25)27)14-17-6-4-3-5-7-17/h3-13,27H,14-16H2,1-2H3/p-1