(E)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-1-(4-methoxyphenyl)-3-phenylazanyl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-1-(4-methoxyphenyl)-3-phenylazanyl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-3-anilino-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-1-(4-methoxyphenyl)-3-thioxo-prop-1-en-1-olate CAS Name: (E)-3-anilino-2-[3-(hydroxymethyl)-1-pyridin-1-iumyl]-1-(4-methoxyphenyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-3-anilino-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-1-(4-methoxyphenyl)-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-3-anilino-1-(4-methoxyphenyl)-2-(3-methylolpyridin-1-ium-1-yl)-3-thioxo-prop-1-en-1-olate Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=C(C(=S)NC2=CC=CC=C2)[N+]3=CC=CC(=C3)CO)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)/C(=C(/C(=S)NC2=CC=CC=C2)\[N+]3=CC=CC(=C3)CO)/[O-]

InChI

InChI=1S/C22H20N2O3S/c1-27-19-11-9-17(10-12-19)21(26)20(24-13-5-6-16(14-24)15-25)22(28)23-18-7-3-2-4-8-18/h2-14,25H,15H2,1H3,(H-,23,26,28)