N-ethyl-3-oxidanylidene-3-phenyl-2-pyridin-1-ium-1-yl-propanethioamide

Systemtic Name: N-ethyl-3-oxidanylidene-3-phenyl-2-pyridin-1-ium-1-yl-propanethioamide Openeye Name: N-ethyl-3-oxo-3-phenyl-2-pyridin-1-ium-1-yl-propanethioamide CAS Name: N-ethyl-3-oxo-3-phenyl-2-(1-pyridin-1-iumyl)propanethioamide IUPAC Name: N-ethyl-3-oxo-3-phenyl-2-pyridin-1-ium-1-ylpropanethioamide Traditional Name: N-ethyl-3-keto-3-phenyl-2-pyridin-1-ium-1-yl-thiopropionamide Formula: C16H17N2OS+ MolecularWeight: 285.38398

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)C(C(=O)C1=CC=CC=C1)[N+]2=CC=CC=C2

Isomeric SMILES

CCNC(=S)C(C(=O)C1=CC=CC=C1)[N+]2=CC=CC=C2

InChI

InChI=1S/C16H16N2OS/c1-2-17-16(20)14(18-11-7-4-8-12-18)15(19)13-9-5-3-6-10-13/h3-12,14H,2H2,1H3/p+1