1-(4-methylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-3-[[3-(trifluoromethyl)phenyl]amino]prop-1-en-1-olate

Systemtic Name: 1-(4-methylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-3-[[3-(trifluoromethyl)phenyl]amino]prop-1-en-1-olate Openeye Name: 1-(p-tolyl)-2-pyridin-1-ium-1-yl-3-thioxo-3-[3-(trifluoromethyl)anilino]prop-1-en-1-olate CAS Name: 1-(4-methylphenyl)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-3-[3-(trifluoromethyl)anilino]-1-propen-1-olate IUPAC Name: 1-(4-methylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-3-[3-(trifluoromethyl)anilino]prop-1-en-1-olate Traditional Name: 1-(p-tolyl)-2-pyridin-1-ium-1-yl-3-thioxo-3-[3-(trifluoromethyl)anilino]prop-1-en-1-olate Formula: C22H17F3N2OS MolecularWeight: 414.44339

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=C(C(=S)NC2=CC=CC(=C2)C(F)(F)F)[N+]3=CC=CC=C3)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=C(C(=S)NC2=CC=CC(=C2)C(F)(F)F)[N+]3=CC=CC=C3)[O-]

InChI

InChI=1S/C22H17F3N2OS/c1-15-8-10-16(11-9-15)20(28)19(27-12-3-2-4-13-27)21(29)26-18-7-5-6-17(14-18)22(23,24)25/h2-14H,1H3,(H-,26,28,29)