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

Systemtic Name: 1-(4-fluorophenyl)-3-[(3-methoxyphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(4-fluorophenyl)-3-(3-methoxyanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(4-fluorophenyl)-3-mercapto-3-(3-methoxyanilino)-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(4-fluorophenyl)-3-(3-methoxyanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 1-(4-fluorophenyl)-3-(m-anisidino)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)prop-2-en-1-one Formula: C22H20FN2O2S+ MolecularWeight: 395.469803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(=C(NC2=CC(=CC=C2)OC)S)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C[N+](=CC=C1)C(=C(NC2=CC(=CC=C2)OC)S)C(=O)C3=CC=C(C=C3)F

InChI

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