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

Systemtic Name: 1-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-3-[[3-(trifluoromethyl)phenyl]amino]prop-1-en-1-olate Openeye Name: 1-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-3-thioxo-3-[3-(trifluoromethyl)anilino]prop-1-en-1-olate CAS Name: 1-(4-methyl-3-nitrophenyl)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-3-[3-(trifluoromethyl)anilino]-1-propen-1-olate IUPAC Name: 1-(4-methyl-3-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-3-[3-(trifluoromethyl)anilino]prop-1-en-1-olate Traditional Name: 1-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-3-thioxo-3-[3-(trifluoromethyl)anilino]prop-1-en-1-olate Formula: C22H16F3N3O3S MolecularWeight: 459.44095

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16F3N3O3S/c1-14-8-9-15(12-18(14)28(30)31)20(29)19(27-10-3-2-4-11-27)21(32)26-17-7-5-6-16(13-17)22(23,24)25/h2-13H,1H3,(H-,26,29,32)