3-[(4-ethoxyphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylidene-1-thiophen-2-yl-prop-1-en-1-olate

Systemtic Name: 3-[(4-ethoxyphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylidene-1-thiophen-2-yl-prop-1-en-1-olate Openeye Name: 3-(4-ethoxyanilino)-2-(3-methylpyridin-1-ium-1-yl)-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate CAS Name: 3-(4-ethoxyanilino)-2-(3-methyl-1-pyridin-1-iumyl)-3-sulfanylidene-1-thiophen-2-yl-1-propen-1-olate IUPAC Name: 3-(4-ethoxyanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylidene-1-thiophen-2-ylprop-1-en-1-olate Traditional Name: 2-(3-methylpyridin-1-ium-1-yl)-3-(p-phenetidino)-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:

CCOC1=CC=C(C=C1)NC(=S)C(=C(C2=CC=CS2)[O-])[N+]3=CC=CC(=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)C(=C(C2=CC=CS2)[O-])[N+]3=CC=CC(=C3)C

InChI

InChI=1S/C21H20N2O2S2/c1-3-25-17-10-8-16(9-11-17)22-21(26)19(20(24)18-7-5-13-27-18)23-12-4-6-15(2)14-23/h4-14H,3H2,1-2H3,(H-,22,24,26)