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

Systemtic Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-[(4-ethoxyphenyl)amino]-3-sulfanylidene-1-thiophen-2-yl-prop-1-en-1-olate Openeye Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(4-ethoxyanilino)-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate CAS Name: 2-(4-tert-butyl-1-pyridin-1-iumyl)-3-(4-ethoxyanilino)-3-sulfanylidene-1-thiophen-2-yl-1-propen-1-olate IUPAC Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(4-ethoxyanilino)-3-sulfanylidene-1-thiophen-2-ylprop-1-en-1-olate Traditional Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(p-phenetidino)-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate Formula: C24H26N2O2S2 MolecularWeight: 438.60544

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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=C(C=C3)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O2S2/c1-5-28-19-10-8-18(9-11-19)25-23(29)21(22(27)20-7-6-16-30-20)26-14-12-17(13-15-26)24(2,3)4/h6-16H,5H2,1-4H3,(H-,25,27,29)