3-(3-nitrophenyl)-3-oxidanylidene-2-(3-phenylpyridin-1-ium-1-yl)-N-prop-2-enyl-propanethioamide

Systemtic Name: 3-(3-nitrophenyl)-3-oxidanylidene-2-(3-phenylpyridin-1-ium-1-yl)-N-prop-2-enyl-propanethioamide Openeye Name: N-allyl-3-(3-nitrophenyl)-3-oxo-2-(3-phenylpyridin-1-ium-1-yl)propanethioamide CAS Name: 3-(3-nitrophenyl)-3-oxo-2-(3-phenyl-1-pyridin-1-iumyl)-N-prop-2-enylpropanethioamide IUPAC Name: 3-(3-nitrophenyl)-3-oxo-2-(3-phenylpyridin-1-ium-1-yl)-N-prop-2-enylpropanethioamide Traditional Name: N-allyl-3-keto-3-(3-nitrophenyl)-2-(3-phenylpyridin-1-ium-1-yl)thiopropionamide Formula: C23H20N3O3S+ MolecularWeight: 418.4882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3O3S/c1-2-13-24-23(30)21(22(27)18-10-6-12-20(15-18)26(28)29)25-14-7-11-19(16-25)17-8-4-3-5-9-17/h2-12,14-16,21H,1,13H2/p+1