N-ethyl-2-(3-methylpyridin-1-ium-1-yl)-3-(3-nitrophenyl)-3-oxidanylidene-propanimidothioate

Systemtic Name: N-ethyl-2-(3-methylpyridin-1-ium-1-yl)-3-(3-nitrophenyl)-3-oxidanylidene-propanimidothioate Openeye Name: N-ethyl-2-(3-methylpyridin-1-ium-1-yl)-3-(3-nitrophenyl)-3-oxo-propanimidothioate CAS Name: N-ethyl-2-(3-methyl-1-pyridin-1-iumyl)-3-(3-nitrophenyl)-3-oxopropanimidothioate IUPAC Name: N-ethyl-2-(3-methylpyridin-1-ium-1-yl)-3-(3-nitrophenyl)-3-oxopropanimidothioate Traditional Name: N-ethyl-3-keto-2-(3-methylpyridin-1-ium-1-yl)-3-(3-nitrophenyl)thiopropionimidate Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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