(E)-1-[4-[bis(fluoranyl)methoxy]phenyl]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylidene-3-[[3-(trifluoromethyl)phenyl]amino]prop-1-en-1-olate

Systemtic Name: (E)-1-[4-[bis(fluoranyl)methoxy]phenyl]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylidene-3-[[3-(trifluoromethyl)phenyl]amino]prop-1-en-1-olate Openeye Name: (E)-1-[4-(difluoromethoxy)phenyl]-2-(3-methylpyridin-1-ium-1-yl)-3-thioxo-3-[3-(trifluoromethyl)anilino]prop-1-en-1-olate CAS Name: (E)-1-[4-(difluoromethoxy)phenyl]-2-(3-methyl-1-pyridin-1-iumyl)-3-sulfanylidene-3-[3-(trifluoromethyl)anilino]-1-propen-1-olate IUPAC Name: (E)-1-[4-(difluoromethoxy)phenyl]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylidene-3-[3-(trifluoromethyl)anilino]prop-1-en-1-olate Traditional Name: (E)-1-[4-(difluoromethoxy)phenyl]-2-(3-methylpyridin-1-ium-1-yl)-3-thioxo-3-[3-(trifluoromethyl)anilino]prop-1-en-1-olate Formula: C23H17F5N2O2S MolecularWeight: 480.450296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(=C(C2=CC=C(C=C2)OC(F)F)[O-])C(=S)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC1=C[N+](=CC=C1)/C(=C(\C2=CC=C(C=C2)OC(F)F)/[O-])/C(=S)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C23H17F5N2O2S/c1-14-4-3-11-30(13-14)19(20(31)15-7-9-18(10-8-15)32-22(24)25)21(33)29-17-6-2-5-16(12-17)23(26,27)28/h2-13,22H,1H3,(H-,29,31,33)