N-ethyl-3-(4-methyl-3-nitro-phenyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanethioamide

Systemtic Name: N-ethyl-3-(4-methyl-3-nitro-phenyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanethioamide Openeye Name: N-ethyl-3-(4-methyl-3-nitro-phenyl)-3-oxo-2-pyridin-1-ium-1-yl-propanethioamide CAS Name: N-ethyl-3-(4-methyl-3-nitrophenyl)-3-oxo-2-(1-pyridin-1-iumyl)propanethioamide IUPAC Name: N-ethyl-3-(4-methyl-3-nitrophenyl)-3-oxo-2-pyridin-1-ium-1-ylpropanethioamide Traditional Name: N-ethyl-3-keto-3-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-thiopropionamide Formula: C17H18N3O3S+ MolecularWeight: 344.40812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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