(2S)-N-ethyl-3-(4-nitrophenyl)-3-oxidanylidene-2-(4-propylpyridin-1-ium-1-yl)propanimidothioate

Systemtic Name: (2S)-N-ethyl-3-(4-nitrophenyl)-3-oxidanylidene-2-(4-propylpyridin-1-ium-1-yl)propanimidothioate Openeye Name: (2S)-N-ethyl-3-(4-nitrophenyl)-3-oxo-2-(4-propylpyridin-1-ium-1-yl)propanimidothioate CAS Name: (2S)-N-ethyl-3-(4-nitrophenyl)-3-oxo-2-(4-propyl-1-pyridin-1-iumyl)propanimidothioate IUPAC Name: (2S)-N-ethyl-3-(4-nitrophenyl)-3-oxo-2-(4-propylpyridin-1-ium-1-yl)propanimidothioate Traditional Name: (2S)-N-ethyl-3-keto-3-(4-nitrophenyl)-2-(4-propylpyridin-1-ium-1-yl)thiopropionimidate Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)C(C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=NCC)[S-]

Isomeric SMILES

CCCC1=CC=[N+](C=C1)[C@@H](C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=NCC)[S-]

InChI

InChI=1S/C19H21N3O3S/c1-3-5-14-10-12-21(13-11-14)17(19(26)20-4-2)18(23)15-6-8-16(9-7-15)22(24)25/h6-13,17H,3-5H2,1-2H3/t17-/m0/s1