(2S)-N-ethyl-3-oxidanylidene-2-(4-propylpyridin-1-ium-1-yl)-3-thiophen-2-yl-propanimidothioate

Systemtic Name: (2S)-N-ethyl-3-oxidanylidene-2-(4-propylpyridin-1-ium-1-yl)-3-thiophen-2-yl-propanimidothioate Openeye Name: (2S)-N-ethyl-3-oxo-2-(4-propylpyridin-1-ium-1-yl)-3-(2-thienyl)propanimidothioate CAS Name: (2S)-N-ethyl-3-oxo-2-(4-propyl-1-pyridin-1-iumyl)-3-thiophen-2-ylpropanimidothioate IUPAC Name: (2S)-N-ethyl-3-oxo-2-(4-propylpyridin-1-ium-1-yl)-3-thiophen-2-ylpropanimidothioate Traditional Name: (2S)-N-ethyl-3-keto-2-(4-propylpyridin-1-ium-1-yl)-3-(2-thienyl)thiopropionimidate Formula: C17H20N2OS2 MolecularWeight: 332.4835

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)C(C(=O)C2=CC=CS2)C(=NCC)[S-]

Isomeric SMILES

CCCC1=CC=[N+](C=C1)[C@@H](C(=O)C2=CC=CS2)C(=NCC)[S-]

InChI

InChI=1S/C17H20N2OS2/c1-3-6-13-8-10-19(11-9-13)15(17(21)18-4-2)16(20)14-7-5-12-22-14/h5,7-12,15H,3-4,6H2,1-2H3/t15-/m0/s1