3-[4-[bis(fluoranyl)methoxy]phenyl]-N-ethyl-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanimidothioate

Systemtic Name: 3-[4-[bis(fluoranyl)methoxy]phenyl]-N-ethyl-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanimidothioate Openeye Name: 3-[4-(difluoromethoxy)phenyl]-N-ethyl-3-oxo-2-pyridin-1-ium-1-yl-propanimidothioate CAS Name: 3-[4-(difluoromethoxy)phenyl]-N-ethyl-3-oxo-2-(1-pyridin-1-iumyl)propanimidothioate IUPAC Name: 3-[4-(difluoromethoxy)phenyl]-N-ethyl-3-oxo-2-pyridin-1-ium-1-ylpropanimidothioate Traditional Name: 3-[4-(difluoromethoxy)phenyl]-N-ethyl-3-keto-2-pyridin-1-ium-1-yl-thiopropionimidate Formula: C17H16F2N2O2S MolecularWeight: 350.382946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16F2N2O2S/c1-2-20-16(24)14(21-10-4-3-5-11-21)15(22)12-6-8-13(9-7-12)23-17(18)19/h3-11,14,17H,2H2,1H3