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

Systemtic Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-[(4-ethoxyphenyl)amino]-1-(4-fluorophenyl)-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(4-ethoxyanilino)-1-(4-fluorophenyl)-3-thioxo-prop-1-en-1-olate CAS Name: 2-(4-tert-butyl-1-pyridin-1-iumyl)-3-(4-ethoxyanilino)-1-(4-fluorophenyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(4-ethoxyanilino)-1-(4-fluorophenyl)-3-sulfanylideneprop-1-en-1-olate Traditional Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(4-fluorophenyl)-3-(p-phenetidino)-3-thioxo-prop-1-en-1-olate Formula: C26H27FN2O2S MolecularWeight: 450.568183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27FN2O2S/c1-5-31-22-12-10-21(11-13-22)28-25(32)23(24(30)18-6-8-20(27)9-7-18)29-16-14-19(15-17-29)26(2,3)4/h6-17H,5H2,1-4H3,(H-,28,30,32)