2-(4-tert-butylpyridin-1-ium-1-yl)-N-ethyl-3-(3-nitrophenyl)-3-oxidanylidene-propanimidothioate

Systemtic Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-N-ethyl-3-(3-nitrophenyl)-3-oxidanylidene-propanimidothioate Openeye Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-N-ethyl-3-(3-nitrophenyl)-3-oxo-propanimidothioate CAS Name: 2-(4-tert-butyl-1-pyridin-1-iumyl)-N-ethyl-3-(3-nitrophenyl)-3-oxopropanimidothioate IUPAC Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-N-ethyl-3-(3-nitrophenyl)-3-oxopropanimidothioate Traditional Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-N-ethyl-3-keto-3-(3-nitrophenyl)thiopropionimidate Formula: C20H23N3O3S MolecularWeight: 385.47992

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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=C(C=C2)C(C)(C)C)[S-]

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S/c1-5-21-19(27)17(22-11-9-15(10-12-22)20(2,3)4)18(24)14-7-6-8-16(13-14)23(25)26/h6-13,17H,5H2,1-4H3