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

Systemtic Name: 3-(4-bromophenyl)-2-(4-tert-butylpyridin-1-ium-1-yl)-N-ethyl-3-oxidanylidene-propanimidothioate Openeye Name: 3-(4-bromophenyl)-2-(4-tert-butylpyridin-1-ium-1-yl)-N-ethyl-3-oxo-propanimidothioate CAS Name: 3-(4-bromophenyl)-2-(4-tert-butyl-1-pyridin-1-iumyl)-N-ethyl-3-oxopropanimidothioate IUPAC Name: 3-(4-bromophenyl)-2-(4-tert-butylpyridin-1-ium-1-yl)-N-ethyl-3-oxopropanimidothioate Traditional Name: 3-(4-bromophenyl)-2-(4-tert-butylpyridin-1-ium-1-yl)-N-ethyl-3-keto-thiopropionimidate Formula: C20H23BrN2OS MolecularWeight: 419.37842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN2OS/c1-5-22-19(25)17(18(24)14-6-8-16(21)9-7-14)23-12-10-15(11-13-23)20(2,3)4/h6-13,17H,5H2,1-4H3