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

Systemtic Name: 2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-[(3-methoxyphenyl)amino]-3-sulfanylidene-1-thiophen-2-yl-prop-1-en-1-olate Openeye Name: 2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-(3-methoxyanilino)-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate CAS Name: 2-[3-(hydroxymethyl)-1-pyridin-1-iumyl]-3-(3-methoxyanilino)-3-sulfanylidene-1-thiophen-2-yl-1-propen-1-olate IUPAC Name: 2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-(3-methoxyanilino)-3-sulfanylidene-1-thiophen-2-ylprop-1-en-1-olate Traditional Name: 3-(m-anisidino)-2-(3-methylolpyridin-1-ium-1-yl)-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)C(=C(C2=CC=CS2)[O-])[N+]3=CC=CC(=C3)CO

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)C(=C(C2=CC=CS2)[O-])[N+]3=CC=CC(=C3)CO

InChI

InChI=1S/C20H18N2O3S2/c1-25-16-7-2-6-15(11-16)21-20(26)18(19(24)17-8-4-10-27-17)22-9-3-5-14(12-22)13-23/h2-12,23H,13H2,1H3,(H-,21,24,26)