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

Systemtic Name: 2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-phenylazanyl-3-sulfanylidene-1-thiophen-2-yl-prop-1-en-1-olate Openeye Name: 3-anilino-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate CAS Name: 3-anilino-2-[3-(hydroxymethyl)-1-pyridin-1-iumyl]-3-sulfanylidene-1-thiophen-2-yl-1-propen-1-olate IUPAC Name: 3-anilino-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-sulfanylidene-1-thiophen-2-ylprop-1-en-1-olate Traditional Name: 3-anilino-2-(3-methylolpyridin-1-ium-1-yl)-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate Formula: C19H16N2O2S2 MolecularWeight: 368.47254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)C(=C(C2=CC=CS2)[O-])[N+]3=CC=CC(=C3)CO

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)C(=C(C2=CC=CS2)[O-])[N+]3=CC=CC(=C3)CO

InChI

InChI=1S/C19H16N2O2S2/c22-13-14-6-4-10-21(12-14)17(18(23)16-9-5-11-25-16)19(24)20-15-7-2-1-3-8-15/h1-12,22H,13H2,(H-,20,23,24)