N-ethyl-3-(4-methyl-3-nitro-phenyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanimidothioate

Systemtic Name: N-ethyl-3-(4-methyl-3-nitro-phenyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanimidothioate Openeye Name: N-ethyl-3-(4-methyl-3-nitro-phenyl)-3-oxo-2-pyridin-1-ium-1-yl-propanimidothioate CAS Name: N-ethyl-3-(4-methyl-3-nitrophenyl)-3-oxo-2-(1-pyridin-1-iumyl)propanimidothioate IUPAC Name: N-ethyl-3-(4-methyl-3-nitrophenyl)-3-oxo-2-pyridin-1-ium-1-ylpropanimidothioate Traditional Name: N-ethyl-3-keto-3-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-thiopropionimidate Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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