3-(4-nitrophenyl)-3-oxidanylidene-N-prop-2-enyl-2-pyridin-1-ium-1-yl-propanethioamide

Systemtic Name: 3-(4-nitrophenyl)-3-oxidanylidene-N-prop-2-enyl-2-pyridin-1-ium-1-yl-propanethioamide Openeye Name: N-allyl-3-(4-nitrophenyl)-3-oxo-2-pyridin-1-ium-1-yl-propanethioamide CAS Name: 3-(4-nitrophenyl)-3-oxo-N-prop-2-enyl-2-(1-pyridin-1-iumyl)propanethioamide IUPAC Name: 3-(4-nitrophenyl)-3-oxo-N-prop-2-enyl-2-pyridin-1-ium-1-ylpropanethioamide Traditional Name: N-allyl-3-keto-3-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-thiopropionamide Formula: C17H16N3O3S+ MolecularWeight: 342.39224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O3S/c1-2-10-18-17(24)15(19-11-4-3-5-12-19)16(21)13-6-8-14(9-7-13)20(22)23/h2-9,11-12,15H,1,10H2/p+1