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

Systemtic Name: 3-[(2-fluorophenyl)amino]-1-(4-phenylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(2-fluoroanilino)-1-(4-phenylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(2-fluoroanilino)-3-mercapto-1-(4-phenylphenyl)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(2-fluoroanilino)-1-(4-phenylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-(2-fluoroanilino)-3-mercapto-1-(4-phenylphenyl)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C26H20FN2OS+ MolecularWeight: 427.513203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C(=C(NC3=CC=CC=C3F)S)[N+]4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C(=C(NC3=CC=CC=C3F)S)[N+]4=CC=CC=C4

InChI

InChI=1S/C26H19FN2OS/c27-22-11-5-6-12-23(22)28-26(31)24(29-17-7-2-8-18-29)25(30)21-15-13-20(14-16-21)19-9-3-1-4-10-19/h1-18H,(H-,28,30,31)/p+1