3-[(3-fluoranyl-4-methyl-phenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: 3-[(3-fluoranyl-4-methyl-phenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: 3-(3-fluoro-4-methyl-anilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-1-(2-thienyl)prop-2-en-1-one CAS Name: 3-(3-fluoro-4-methylanilino)-3-mercapto-2-(1-pyridin-1-iumyl)-1-thiophen-2-yl-2-propen-1-one IUPAC Name: 3-(3-fluoro-4-methylanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-1-thiophen-2-ylprop-2-en-1-one Traditional Name: 3-(3-fluoro-4-methyl-anilino)-3-mercapto-2-pyridin-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(C=C(C=C1)NC(=C(C(=O)C2=CC=CS2)[N+]3=CC=CC=C3)S)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=C(C(=O)C2=CC=CS2)[N+]3=CC=CC=C3)S)F

InChI

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