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

Systemtic Name: (2R)-N-[(4-fluorophenyl)methyl]-3-(4-nitrophenyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanethioamide Openeye Name: (2R)-N-[(4-fluorophenyl)methyl]-3-(4-nitrophenyl)-3-oxo-2-pyridin-1-ium-1-yl-propanethioamide CAS Name: (2R)-N-[(4-fluorophenyl)methyl]-3-(4-nitrophenyl)-3-oxo-2-(1-pyridin-1-iumyl)propanethioamide IUPAC Name: (2R)-N-[(4-fluorophenyl)methyl]-3-(4-nitrophenyl)-3-oxo-2-pyridin-1-ium-1-ylpropanethioamide Traditional Name: (2R)-N-(4-fluorobenzyl)-3-keto-3-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-thiopropionamide Formula: C21H17FN3O3S+ MolecularWeight: 410.441383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16FN3O3S/c22-17-8-4-15(5-9-17)14-23-21(29)19(24-12-2-1-3-13-24)20(26)16-6-10-18(11-7-16)25(27)28/h1-13,19H,14H2/p+1/t19-/m1/s1