6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1-oxidanidyl-2-(phenylmethyl)pyrimidin-1-ium

Systemtic Name: 6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1-oxidanidyl-2-(phenylmethyl)pyrimidin-1-ium Openeye Name: 2-benzyl-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1-oxido-pyrimidin-1-ium CAS Name: 6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1-oxido-2-(phenylmethyl)pyrimidin-1-ium IUPAC Name: 2-benzyl-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1-oxidopyrimidin-1-ium Traditional Name: 2-benzyl-6-(4-fluorophenyl)-5-(4-mesylphenyl)-1-oxido-pyrimidin-1-ium Formula: C24H19FN2O3S MolecularWeight: 434.482663

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C([N+](=C2C3=CC=C(C=C3)F)[O-])CC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C([N+](=C2C3=CC=C(C=C3)F)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C24H19FN2O3S/c1-31(29,30)21-13-9-18(10-14-21)22-16-26-23(15-17-5-3-2-4-6-17)27(28)24(22)19-7-11-20(25)12-8-19/h2-14,16H,15H2,1H3