3-[(3-fluoranyl-4-methyl-phenyl)amino]-2-(3-methylpyridin-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-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: 3-(3-fluoro-4-methyl-anilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-1-(2-thienyl)prop-2-en-1-one CAS Name: 3-(3-fluoro-4-methylanilino)-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-1-thiophen-2-yl-2-propen-1-one IUPAC Name: 3-(3-fluoro-4-methylanilino)-2-(3-methylpyridin-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-(3-methylpyridin-1-ium-1-yl)-1-(2-thienyl)prop-2-en-1-one Formula: C20H18FN2OS2+ MolecularWeight: 385.498123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(=C(NC2=CC(=C(C=C2)C)F)S)C(=O)C3=CC=CS3

Isomeric SMILES

CC1=C[N+](=CC=C1)C(=C(NC2=CC(=C(C=C2)C)F)S)C(=O)C3=CC=CS3

InChI

InChI=1S/C20H17FN2OS2/c1-13-5-3-9-23(12-13)18(19(24)17-6-4-10-26-17)20(25)22-15-8-7-14(2)16(21)11-15/h3-12H,1-2H3,(H-,22,24,25)/p+1