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

Systemtic Name: 2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-1-thiophen-2-yl-3-[[3-(trifluoromethyl)phenyl]amino]prop-2-en-1-one Openeye Name: 2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-1-(2-thienyl)-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one CAS Name: 3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-1-thiophen-2-yl-3-[3-(trifluoromethyl)anilino]-2-propen-1-one IUPAC Name: 2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-1-thiophen-2-yl-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one Traditional Name: 3-mercapto-2-(3-methylpyridin-1-ium-1-yl)-1-(2-thienyl)-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one Formula: C20H16F3N2OS2+ MolecularWeight: 421.47905

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15F3N2OS2/c1-13-5-3-9-25(12-13)17(18(26)16-8-4-10-28-16)19(27)24-15-7-2-6-14(11-15)20(21,22)23/h2-12H,1H3,(H-,24,26,27)/p+1