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

Systemtic Name: N-ethyl-3-(4-methyl-3-nitro-phenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxidanylidene-propanethioamide Openeye Name: N-ethyl-3-(4-methyl-3-nitro-phenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxo-propanethioamide CAS Name: N-ethyl-3-(4-methyl-3-nitrophenyl)-2-(3-methyl-1-pyridin-1-iumyl)-3-oxopropanethioamide IUPAC Name: N-ethyl-3-(4-methyl-3-nitrophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxopropanethioamide Traditional Name: N-ethyl-3-keto-3-(4-methyl-3-nitro-phenyl)-2-(3-methylpyridin-1-ium-1-yl)thiopropionamide Formula: C18H20N3O3S+ MolecularWeight: 358.4347

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O3S/c1-4-19-18(25)16(20-9-5-6-12(2)11-20)17(22)14-8-7-13(3)15(10-14)21(23)24/h5-11,16H,4H2,1-3H3/p+1