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

Systemtic Name: 3-[(2-ethoxyphenyl)amino]-1-(4-fluorophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(2-ethoxyanilino)-1-(4-fluorophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(2-ethoxyanilino)-1-(4-fluorophenyl)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(2-ethoxyanilino)-1-(4-fluorophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 1-(4-fluorophenyl)-3-mercapto-3-(o-phenetidino)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C22H20FN2O2S+ MolecularWeight: 395.469803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=C(C(=O)C2=CC=C(C=C2)F)[N+]3=CC=CC=C3)S

Isomeric SMILES

CCOC1=CC=CC=C1NC(=C(C(=O)C2=CC=C(C=C2)F)[N+]3=CC=CC=C3)S

InChI

InChI=1S/C22H19FN2O2S/c1-2-27-19-9-5-4-8-18(19)24-22(28)20(25-14-6-3-7-15-25)21(26)16-10-12-17(23)13-11-16/h3-15H,2H2,1H3,(H-,24,26,28)/p+1