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

Systemtic Name: N-ethyl-3-(4-methyl-3-nitro-phenyl)-3-oxidanylidene-2-(3-phenylpyridin-1-ium-1-yl)propanethioamide Openeye Name: N-ethyl-3-(4-methyl-3-nitro-phenyl)-3-oxo-2-(3-phenylpyridin-1-ium-1-yl)propanethioamide CAS Name: N-ethyl-3-(4-methyl-3-nitrophenyl)-3-oxo-2-(3-phenyl-1-pyridin-1-iumyl)propanethioamide IUPAC Name: N-ethyl-3-(4-methyl-3-nitrophenyl)-3-oxo-2-(3-phenylpyridin-1-ium-1-yl)propanethioamide Traditional Name: N-ethyl-3-keto-3-(4-methyl-3-nitro-phenyl)-2-(3-phenylpyridin-1-ium-1-yl)thiopropionamide Formula: C23H22N3O3S+ MolecularWeight: 420.50408

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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)C3=CC=CC=C3

Isomeric SMILES

CCNC(=S)C(C(=O)C1=CC(=C(C=C1)C)[N+](=O)[O-])[N+]2=CC=CC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H21N3O3S/c1-3-24-23(30)21(22(27)18-12-11-16(2)20(14-18)26(28)29)25-13-7-10-19(15-25)17-8-5-4-6-9-17/h4-15,21H,3H2,1-2H3/p+1