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

Systemtic Name: 1-(4-fluorophenyl)-3-[(2-methylphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(4-fluorophenyl)-3-(2-methylanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(4-fluorophenyl)-3-mercapto-3-(2-methylanilino)-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(4-fluorophenyl)-3-(2-methylanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 1-(4-fluorophenyl)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)-3-(o-toluidino)prop-2-en-1-one Formula: C22H20FN2OS+ MolecularWeight: 379.470403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(=C(NC2=CC=CC=C2C)S)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C[N+](=CC=C1)C(=C(NC2=CC=CC=C2C)S)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H19FN2OS/c1-15-6-5-13-25(14-15)20(21(26)17-9-11-18(23)12-10-17)22(27)24-19-8-4-3-7-16(19)2/h3-14H,1-2H3,(H-,24,26,27)/p+1