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

Systemtic Name: 3-[(2-fluorophenyl)amino]-1-(4-methyl-3-nitro-phenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(2-fluoroanilino)-1-(4-methyl-3-nitro-phenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(2-fluoroanilino)-3-mercapto-1-(4-methyl-3-nitrophenyl)-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(2-fluoroanilino)-1-(4-methyl-3-nitrophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 3-(2-fluoroanilino)-3-mercapto-1-(4-methyl-3-nitro-phenyl)-2-(3-methylpyridin-1-ium-1-yl)prop-2-en-1-one Formula: C22H19FN3O3S+ MolecularWeight: 424.467963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(=C(NC2=CC=CC=C2F)S)C(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C[N+](=CC=C1)C(=C(NC2=CC=CC=C2F)S)C(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H18FN3O3S/c1-14-6-5-11-25(13-14)20(22(30)24-18-8-4-3-7-17(18)23)21(27)16-10-9-15(2)19(12-16)26(28)29/h3-13H,1-2H3,(H-,24,27,30)/p+1