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

Systemtic Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-[(4-ethoxyphenyl)amino]-1-(4-fluorophenyl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(4-ethoxyanilino)-1-(4-fluorophenyl)-3-sulfanyl-prop-2-en-1-one CAS Name: 2-(4-tert-butyl-1-pyridin-1-iumyl)-3-(4-ethoxyanilino)-1-(4-fluorophenyl)-3-mercapto-2-propen-1-one IUPAC Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(4-ethoxyanilino)-1-(4-fluorophenyl)-3-sulfanylprop-2-en-1-one Traditional Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(4-fluorophenyl)-3-mercapto-3-(p-phenetidino)prop-2-en-1-one Formula: C26H28FN2O2S+ MolecularWeight: 451.576123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)/p+1