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

Systemtic Name: N-ethyl-2-(3-methylpyridin-1-ium-1-yl)-3-oxidanylidene-3-thiophen-2-yl-propanimidothioate Openeye Name: N-ethyl-2-(3-methylpyridin-1-ium-1-yl)-3-oxo-3-(2-thienyl)propanimidothioate CAS Name: N-ethyl-2-(3-methyl-1-pyridin-1-iumyl)-3-oxo-3-thiophen-2-ylpropanimidothioate IUPAC Name: N-ethyl-2-(3-methylpyridin-1-ium-1-yl)-3-oxo-3-thiophen-2-ylpropanimidothioate Traditional Name: N-ethyl-3-keto-2-(3-methylpyridin-1-ium-1-yl)-3-(2-thienyl)thiopropionimidate Formula: C15H16N2OS2 MolecularWeight: 304.43034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2OS2/c1-3-16-15(19)13(14(18)12-7-5-9-20-12)17-8-4-6-11(2)10-17/h4-10,13H,3H2,1-2H3