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

Systemtic Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-N-ethyl-3-oxidanylidene-3-thiophen-2-yl-propanimidothioate Openeye Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-N-ethyl-3-oxo-3-(2-thienyl)propanimidothioate CAS Name: 2-(4-tert-butyl-1-pyridin-1-iumyl)-N-ethyl-3-oxo-3-thiophen-2-ylpropanimidothioate IUPAC Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-N-ethyl-3-oxo-3-thiophen-2-ylpropanimidothioate Traditional Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-N-ethyl-3-keto-3-(2-thienyl)thiopropionimidate Formula: C18H22N2OS2 MolecularWeight: 346.51008

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C(C(C(=O)C1=CC=CS1)[N+]2=CC=C(C=C2)C(C)(C)C)[S-]

Isomeric SMILES

CCN=C(C(C(=O)C1=CC=CS1)[N+]2=CC=C(C=C2)C(C)(C)C)[S-]

InChI

InChI=1S/C18H22N2OS2/c1-5-19-17(22)15(16(21)14-7-6-12-23-14)20-10-8-13(9-11-20)18(2,3)4/h6-12,15H,5H2,1-4H3