N-ethyl-2-(3-methylpyridin-1-ium-1-yl)-3-(3-nitrophenyl)-3-oxidanylidene-propanethioamide

Systemtic Name: N-ethyl-2-(3-methylpyridin-1-ium-1-yl)-3-(3-nitrophenyl)-3-oxidanylidene-propanethioamide Openeye Name: N-ethyl-2-(3-methylpyridin-1-ium-1-yl)-3-(3-nitrophenyl)-3-oxo-propanethioamide CAS Name: N-ethyl-2-(3-methyl-1-pyridin-1-iumyl)-3-(3-nitrophenyl)-3-oxopropanethioamide IUPAC Name: N-ethyl-2-(3-methylpyridin-1-ium-1-yl)-3-(3-nitrophenyl)-3-oxopropanethioamide Traditional Name: N-ethyl-3-keto-2-(3-methylpyridin-1-ium-1-yl)-3-(3-nitrophenyl)thiopropionamide Formula: C17H18N3O3S+ MolecularWeight: 344.40812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O3S/c1-3-18-17(24)15(19-9-5-6-12(2)11-19)16(21)13-7-4-8-14(10-13)20(22)23/h4-11,15H,3H2,1-2H3/p+1