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

Systemtic Name: 3-(3-bromophenyl)-N-ethyl-2-(3-methylpyridin-1-ium-1-yl)-3-oxidanylidene-propanimidothioate Openeye Name: 3-(3-bromophenyl)-N-ethyl-2-(3-methylpyridin-1-ium-1-yl)-3-oxo-propanimidothioate CAS Name: 3-(3-bromophenyl)-N-ethyl-2-(3-methyl-1-pyridin-1-iumyl)-3-oxopropanimidothioate IUPAC Name: 3-(3-bromophenyl)-N-ethyl-2-(3-methylpyridin-1-ium-1-yl)-3-oxopropanimidothioate Traditional Name: 3-(3-bromophenyl)-N-ethyl-3-keto-2-(3-methylpyridin-1-ium-1-yl)thiopropionimidate Formula: C17H17BrN2OS MolecularWeight: 377.29868

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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)C)[S-]

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN2OS/c1-3-19-17(22)15(20-9-5-6-12(2)11-20)16(21)13-7-4-8-14(18)10-13/h4-11,15H,3H2,1-2H3