4,4,4-tris(fluoranyl)-N-(4-methylphenyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-butanethioamide

Systemtic Name: 4,4,4-tris(fluoranyl)-N-(4-methylphenyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-butanethioamide Openeye Name: 4,4,4-trifluoro-3-oxo-N-(p-tolyl)-2-pyridin-1-ium-1-yl-butanethioamide CAS Name: 4,4,4-trifluoro-N-(4-methylphenyl)-3-oxo-2-(1-pyridin-1-iumyl)butanethioamide IUPAC Name: 4,4,4-trifluoro-N-(4-methylphenyl)-3-oxo-2-pyridin-1-ium-1-ylbutanethioamide Traditional Name: 4,4,4-trifluoro-3-keto-N-(p-tolyl)-2-pyridin-1-ium-1-yl-thiobutyramide Formula: C16H14F3N2OS+ MolecularWeight: 339.35537

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)C(C(=O)C(F)(F)F)[N+]2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)C(C(=O)C(F)(F)F)[N+]2=CC=CC=C2

InChI

InChI=1S/C16H13F3N2OS/c1-11-5-7-12(8-6-11)20-15(23)13(14(22)16(17,18)19)21-9-3-2-4-10-21/h2-10,13H,1H3/p+1