(2R)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanethioamide

Systemtic Name: (2R)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanethioamide Openeye Name: (2R)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3-oxo-2-pyridin-1-ium-1-yl-propanethioamide CAS Name: (2R)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3-oxo-2-(1-pyridin-1-iumyl)propanethioamide IUPAC Name: (2R)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3-oxo-2-pyridin-1-ium-1-ylpropanethioamide Traditional Name: (2R)-N-(4-fluorobenzyl)-3-(4-fluorophenyl)-3-keto-2-pyridin-1-ium-1-yl-thiopropionamide Formula: C21H17F2N2OS+ MolecularWeight: 383.434286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C(C(=O)C2=CC=C(C=C2)F)C(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=[N+](C=C1)[C@H](C(=O)C2=CC=C(C=C2)F)C(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H16F2N2OS/c22-17-8-4-15(5-9-17)14-24-21(27)19(25-12-2-1-3-13-25)20(26)16-6-10-18(23)11-7-16/h1-13,19H,14H2/p+1/t19-/m1/s1