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

Systemtic Name: 3-[(4-chlorophenyl)amino]-1-(4-fluorophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(4-chloroanilino)-1-(4-fluorophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(4-chloroanilino)-1-(4-fluorophenyl)-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(4-chloroanilino)-1-(4-fluorophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 3-(4-chloroanilino)-1-(4-fluorophenyl)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)prop-2-en-1-one Formula: C21H17ClFN2OS+ MolecularWeight: 399.888883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClFN2OS/c1-14-3-2-12-25(13-14)19(20(26)15-4-8-17(23)9-5-15)21(27)24-18-10-6-16(22)7-11-18/h2-13H,1H3,(H-,24,26,27)/p+1