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

Systemtic Name: 1-(2-chlorophenyl)-3-[(3-fluoranyl-4-methyl-phenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(2-chlorophenyl)-3-(3-fluoro-4-methyl-anilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(2-chlorophenyl)-3-(3-fluoro-4-methylanilino)-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(2-chlorophenyl)-3-(3-fluoro-4-methylanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 1-(2-chlorophenyl)-3-(3-fluoro-4-methyl-anilino)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)prop-2-en-1-one Formula: C22H19ClFN2OS+ MolecularWeight: 413.915463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(=C(NC2=CC(=C(C=C2)C)F)S)C(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CC1=C[N+](=CC=C1)C(=C(NC2=CC(=C(C=C2)C)F)S)C(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H18ClFN2OS/c1-14-6-5-11-26(13-14)20(21(27)17-7-3-4-8-18(17)23)22(28)25-16-10-9-15(2)19(24)12-16/h3-13H,1-2H3,(H-,25,27,28)/p+1