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

Systemtic Name: 3-(3-bromophenyl)-N-ethyl-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanimidothioate Openeye Name: 3-(3-bromophenyl)-N-ethyl-3-oxo-2-pyridin-1-ium-1-yl-propanimidothioate CAS Name: 3-(3-bromophenyl)-N-ethyl-3-oxo-2-(1-pyridin-1-iumyl)propanimidothioate IUPAC Name: 3-(3-bromophenyl)-N-ethyl-3-oxo-2-pyridin-1-ium-1-ylpropanimidothioate Traditional Name: 3-(3-bromophenyl)-N-ethyl-3-keto-2-pyridin-1-ium-1-yl-thiopropionimidate Formula: C16H15BrN2OS MolecularWeight: 363.2721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrN2OS/c1-2-18-16(21)14(19-9-4-3-5-10-19)15(20)12-7-6-8-13(17)11-12/h3-11,14H,2H2,1H3