3-(4-fluorophenyl)-3-oxidanylidene-N-(phenylmethyl)-2-pyridin-1-ium-1-yl-propanethioamide

Systemtic Name: 3-(4-fluorophenyl)-3-oxidanylidene-N-(phenylmethyl)-2-pyridin-1-ium-1-yl-propanethioamide Openeye Name: N-benzyl-3-(4-fluorophenyl)-3-oxo-2-pyridin-1-ium-1-yl-propanethioamide CAS Name: 3-(4-fluorophenyl)-3-oxo-N-(phenylmethyl)-2-(1-pyridin-1-iumyl)propanethioamide IUPAC Name: N-benzyl-3-(4-fluorophenyl)-3-oxo-2-pyridin-1-ium-1-ylpropanethioamide Traditional Name: N-benzyl-3-(4-fluorophenyl)-3-keto-2-pyridin-1-ium-1-yl-thiopropionamide Formula: C21H18FN2OS+ MolecularWeight: 365.443823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)C(C(=O)C2=CC=C(C=C2)F)[N+]3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)C(C(=O)C2=CC=C(C=C2)F)[N+]3=CC=CC=C3

InChI

InChI=1S/C21H17FN2OS/c22-18-11-9-17(10-12-18)20(25)19(24-13-5-2-6-14-24)21(26)23-15-16-7-3-1-4-8-16/h1-14,19H,15H2/p+1