N-ethyl-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxidanylidene-3-(4-phenylphenyl)propanimidothioate

Systemtic Name: N-ethyl-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxidanylidene-3-(4-phenylphenyl)propanimidothioate Openeye Name: N-ethyl-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxo-3-(4-phenylphenyl)propanimidothioate CAS Name: N-ethyl-2-[3-(hydroxymethyl)-1-pyridin-1-iumyl]-3-oxo-3-(4-phenylphenyl)propanimidothioate IUPAC Name: N-ethyl-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxo-3-(4-phenylphenyl)propanimidothioate Traditional Name: N-ethyl-3-keto-2-(3-methylolpyridin-1-ium-1-yl)-3-(4-phenylphenyl)thiopropionimidate Formula: C23H22N2O2S MolecularWeight: 390.49798

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C(C(C(=O)C1=CC=C(C=C1)C2=CC=CC=C2)[N+]3=CC=CC(=C3)CO)[S-]

Isomeric SMILES

CCN=C(C(C(=O)C1=CC=C(C=C1)C2=CC=CC=C2)[N+]3=CC=CC(=C3)CO)[S-]

InChI

InChI=1S/C23H22N2O2S/c1-2-24-23(28)21(25-14-6-7-17(15-25)16-26)22(27)20-12-10-19(11-13-20)18-8-4-3-5-9-18/h3-15,21,26H,2,16H2,1H3