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

Systemtic Name: 1-(3-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-3-[[3-(trifluoromethyl)phenyl]amino]prop-1-en-1-olate Openeye Name: 1-(3-nitrophenyl)-2-pyridin-1-ium-1-yl-3-thioxo-3-[3-(trifluoromethyl)anilino]prop-1-en-1-olate CAS Name: 1-(3-nitrophenyl)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-3-[3-(trifluoromethyl)anilino]-1-propen-1-olate IUPAC Name: 1-(3-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-3-[3-(trifluoromethyl)anilino]prop-1-en-1-olate Traditional Name: 1-(3-nitrophenyl)-2-pyridin-1-ium-1-yl-3-thioxo-3-[3-(trifluoromethyl)anilino]prop-1-en-1-olate Formula: C21H14F3N3O3S MolecularWeight: 445.41437

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14F3N3O3S/c22-21(23,24)15-7-5-8-16(13-15)25-20(31)18(26-10-2-1-3-11-26)19(28)14-6-4-9-17(12-14)27(29)30/h1-13H,(H-,25,28,31)