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

Systemtic Name: 3-[(2-fluorophenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: 3-(2-fluoroanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-1-(2-thienyl)prop-2-en-1-one CAS Name: 3-(2-fluoroanilino)-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-1-thiophen-2-yl-2-propen-1-one IUPAC Name: 3-(2-fluoroanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-1-thiophen-2-ylprop-2-en-1-one Traditional Name: 3-(2-fluoroanilino)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)-1-(2-thienyl)prop-2-en-1-one Formula: C19H16FN2OS2+ MolecularWeight: 371.471543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(=C(NC2=CC=CC=C2F)S)C(=O)C3=CC=CS3

Isomeric SMILES

CC1=C[N+](=CC=C1)C(=C(NC2=CC=CC=C2F)S)C(=O)C3=CC=CS3

InChI

InChI=1S/C19H15FN2OS2/c1-13-6-4-10-22(12-13)17(18(23)16-9-5-11-25-16)19(24)21-15-8-3-2-7-14(15)20/h2-12H,1H3,(H-,21,23,24)/p+1