(E)-3-[(3-chloranyl-4-fluoranyl-phenyl)amino]-1-(4-methoxyphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-3-[(3-chloranyl-4-fluoranyl-phenyl)amino]-1-(4-methoxyphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-3-(3-chloro-4-fluoro-anilino)-1-(4-methoxyphenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-3-(3-chloro-4-fluoroanilino)-1-(4-methoxyphenyl)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-3-(3-chloro-4-fluoroanilino)-1-(4-methoxyphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-3-(3-chloro-4-fluoro-anilino)-1-(4-methoxyphenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C21H16ClFN2O2S MolecularWeight: 414.880343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=C(C(=S)NC2=CC(=C(C=C2)F)Cl)[N+]3=CC=CC=C3)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)/C(=C(/C(=S)NC2=CC(=C(C=C2)F)Cl)\[N+]3=CC=CC=C3)/[O-]

InChI

InChI=1S/C21H16ClFN2O2S/c1-27-16-8-5-14(6-9-16)20(26)19(25-11-3-2-4-12-25)21(28)24-15-7-10-18(23)17(22)13-15/h2-13H,1H3,(H-,24,26,28)