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

Systemtic Name: 2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxidanylidene-3-(4-phenylphenyl)-N-prop-2-enyl-propanimidothioate Openeye Name: N-allyl-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxo-3-(4-phenylphenyl)propanimidothioate CAS Name: 2-[3-(hydroxymethyl)-1-pyridin-1-iumyl]-3-oxo-3-(4-phenylphenyl)-N-prop-2-enylpropanimidothioate IUPAC Name: 2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxo-3-(4-phenylphenyl)-N-prop-2-enylpropanimidothioate Traditional Name: N-allyl-3-keto-2-(3-methylolpyridin-1-ium-1-yl)-3-(4-phenylphenyl)thiopropionimidate Formula: C24H22N2O2S MolecularWeight: 402.50868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O2S/c1-2-14-25-24(29)22(26-15-6-7-18(16-26)17-27)23(28)21-12-10-20(11-13-21)19-8-4-3-5-9-19/h2-13,15-16,22,27H,1,14,17H2