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

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

Systemtic Name:1-(4-ethylphenyl)-3-[(2-fluorophenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one
Openeye Name:1-(4-ethylphenyl)-3-(2-fluoroanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one
CAS Name:1-(4-ethylphenyl)-3-(2-fluoroanilino)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one
IUPAC Name:1-(4-ethylphenyl)-3-(2-fluoroanilino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one
Traditional Name:1-(4-ethylphenyl)-3-(2-fluoroanilino)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one
Formula: C22H20FN2OS+
MolecularWeight: 379.470403
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(=C(NC2=CC=CC=C2F)S)[N+]3=CC=CC=C3


Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(=C(NC2=CC=CC=C2F)S)[N+]3=CC=CC=C3


InChI

InChI=1S/C22H19FN2OS/c1-2-16-10-12-17(13-11-16)21(26)20(25-14-6-3-7-15-25)22(27)24-19-9-5-4-8-18(19)23/h3-15H,2H2,1H3,(H-,24,26,27)/p+1


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