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

Systemtic Name: 3-[(2-fluorophenyl)amino]-2-(4-propylpyridin-1-ium-1-yl)-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: 3-(2-fluoroanilino)-2-(4-propylpyridin-1-ium-1-yl)-3-sulfanyl-1-(2-thienyl)prop-2-en-1-one CAS Name: 3-(2-fluoroanilino)-3-mercapto-2-(4-propyl-1-pyridin-1-iumyl)-1-thiophen-2-yl-2-propen-1-one IUPAC Name: 3-(2-fluoroanilino)-2-(4-propylpyridin-1-ium-1-yl)-3-sulfanyl-1-thiophen-2-ylprop-2-en-1-one Traditional Name: 3-(2-fluoroanilino)-3-mercapto-2-(4-propylpyridin-1-ium-1-yl)-1-(2-thienyl)prop-2-en-1-one Formula: C21H20FN2OS2+ MolecularWeight: 399.524703

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)C(=C(NC2=CC=CC=C2F)S)C(=O)C3=CC=CS3

Isomeric SMILES

CCCC1=CC=[N+](C=C1)C(=C(NC2=CC=CC=C2F)S)C(=O)C3=CC=CS3

InChI

InChI=1S/C21H19FN2OS2/c1-2-6-15-10-12-24(13-11-15)19(20(25)18-9-5-14-27-18)21(26)23-17-8-4-3-7-16(17)22/h3-5,7-14H,2,6H2,1H3,(H-,23,25,26)/p+1