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

Systemtic Name: N-ethyl-3-(3-nitrophenyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanimidothioate Openeye Name: N-ethyl-3-(3-nitrophenyl)-3-oxo-2-pyridin-1-ium-1-yl-propanimidothioate CAS Name: N-ethyl-3-(3-nitrophenyl)-3-oxo-2-(1-pyridin-1-iumyl)propanimidothioate IUPAC Name: N-ethyl-3-(3-nitrophenyl)-3-oxo-2-pyridin-1-ium-1-ylpropanimidothioate Traditional Name: N-ethyl-3-keto-3-(3-nitrophenyl)-2-pyridin-1-ium-1-yl-thiopropionimidate Formula: C16H15N3O3S MolecularWeight: 329.3736

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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)[S-]

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O3S/c1-2-17-16(23)14(18-9-4-3-5-10-18)15(20)12-7-6-8-13(11-12)19(21)22/h3-11,14H,2H2,1H3