3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanimidothioate

Systemtic Name: 3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanimidothioate Openeye Name: 3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-3-oxo-2-pyridin-1-ium-1-yl-propanimidothioate CAS Name: 3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-3-oxo-2-(1-pyridin-1-iumyl)propanimidothioate IUPAC Name: 3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-3-oxo-2-pyridin-1-ium-1-ylpropanimidothioate Traditional Name: 3-(4-fluorophenyl)-3-keto-N-p-anisyl-2-pyridin-1-ium-1-yl-thiopropionimidate Formula: C22H19FN2O2S MolecularWeight: 394.461863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN=C(C(C(=O)C2=CC=C(C=C2)F)[N+]3=CC=CC=C3)[S-]

Isomeric SMILES

COC1=CC=C(C=C1)CN=C(C(C(=O)C2=CC=C(C=C2)F)[N+]3=CC=CC=C3)[S-]

InChI

InChI=1S/C22H19FN2O2S/c1-27-19-11-5-16(6-12-19)15-24-22(28)20(25-13-3-2-4-14-25)21(26)17-7-9-18(23)10-8-17/h2-14,20H,15H2,1H3