(2R)-N-ethyl-3-(4-ethylphenyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanimidothioate

Systemtic Name: (2R)-N-ethyl-3-(4-ethylphenyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanimidothioate Openeye Name: (2R)-N-ethyl-3-(4-ethylphenyl)-3-oxo-2-pyridin-1-ium-1-yl-propanimidothioate CAS Name: (2R)-N-ethyl-3-(4-ethylphenyl)-3-oxo-2-(1-pyridin-1-iumyl)propanimidothioate IUPAC Name: (2R)-N-ethyl-3-(4-ethylphenyl)-3-oxo-2-pyridin-1-ium-1-ylpropanimidothioate Traditional Name: (2R)-N-ethyl-3-(4-ethylphenyl)-3-keto-2-pyridin-1-ium-1-yl-thiopropionimidate Formula: C18H20N2OS MolecularWeight: 312.4292

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C(=NCC)[S-])[N+]2=CC=CC=C2

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C(=NCC)[S-])[N+]2=CC=CC=C2

InChI

InChI=1S/C18H20N2OS/c1-3-14-8-10-15(11-9-14)17(21)16(18(22)19-4-2)20-12-6-5-7-13-20/h5-13,16H,3-4H2,1-2H3/t16-/m1/s1