3-[(2-ethylphenyl)amino]-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-sulfanylidene-1-thiophen-2-yl-prop-1-en-1-olate

Systemtic Name: 3-[(2-ethylphenyl)amino]-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-sulfanylidene-1-thiophen-2-yl-prop-1-en-1-olate Openeye Name: 3-(2-ethylanilino)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate CAS Name: 3-(2-ethylanilino)-2-[3-(hydroxymethyl)-1-pyridin-1-iumyl]-3-sulfanylidene-1-thiophen-2-yl-1-propen-1-olate IUPAC Name: 3-(2-ethylanilino)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-sulfanylidene-1-thiophen-2-ylprop-1-en-1-olate Traditional Name: 3-(2-ethylanilino)-2-(3-methylolpyridin-1-ium-1-yl)-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate Formula: C21H20N2O2S2 MolecularWeight: 396.5257

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)C(=C(C2=CC=CS2)[O-])[N+]3=CC=CC(=C3)CO

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)C(=C(C2=CC=CS2)[O-])[N+]3=CC=CC(=C3)CO

InChI

InChI=1S/C21H20N2O2S2/c1-2-16-8-3-4-9-17(16)22-21(26)19(20(25)18-10-6-12-27-18)23-11-5-7-15(13-23)14-24/h3-13,24H,2,14H2,1H3,(H-,22,25,26)