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

Systemtic Name: 1-(4-fluorophenyl)-3-[(2-fluorophenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(2-fluoroanilino)-1-(4-fluorophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(2-fluoroanilino)-1-(4-fluorophenyl)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(2-fluoroanilino)-1-(4-fluorophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-(2-fluoroanilino)-1-(4-fluorophenyl)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C20H15F2N2OS+ MolecularWeight: 369.407706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14F2N2OS/c21-15-10-8-14(9-11-15)19(25)18(24-12-4-1-5-13-24)20(26)23-17-7-3-2-6-16(17)22/h1-13H,(H-,23,25,26)/p+1