2-(4-tert-butylpyridin-1-ium-1-yl)-3-sulfanyl-1-thiophen-2-yl-3-[[3-(trifluoromethyl)phenyl]amino]prop-2-en-1-one

Systemtic Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-sulfanyl-1-thiophen-2-yl-3-[[3-(trifluoromethyl)phenyl]amino]prop-2-en-1-one Openeye Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-sulfanyl-1-(2-thienyl)-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one CAS Name: 2-(4-tert-butyl-1-pyridin-1-iumyl)-3-mercapto-1-thiophen-2-yl-3-[3-(trifluoromethyl)anilino]-2-propen-1-one IUPAC Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-sulfanyl-1-thiophen-2-yl-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one Traditional Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-mercapto-1-(2-thienyl)-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one Formula: C23H22F3N2OS2+ MolecularWeight: 463.55879

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21F3N2OS2/c1-22(2,3)15-9-11-28(12-10-15)19(20(29)18-8-5-13-31-18)21(30)27-17-7-4-6-16(14-17)23(24,25)26/h4-14H,1-3H3,(H-,27,29,30)/p+1