(E)-1-(3,4-dimethylphenyl)-3-[(2-fluorophenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-1-(3,4-dimethylphenyl)-3-[(2-fluorophenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-1-(3,4-dimethylphenyl)-3-(2-fluoroanilino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-1-(3,4-dimethylphenyl)-3-(2-fluoroanilino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-1-(3,4-dimethylphenyl)-3-(2-fluoroanilino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-1-(3,4-dimethylphenyl)-3-(2-fluoroanilino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C22H19FN2OS MolecularWeight: 378.462463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=C(C(=S)NC2=CC=CC=C2F)[N+]3=CC=CC=C3)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)/C(=C(/C(=S)NC2=CC=CC=C2F)\[N+]3=CC=CC=C3)/[O-])C

InChI

InChI=1S/C22H19FN2OS/c1-15-10-11-17(14-16(15)2)21(26)20(25-12-6-3-7-13-25)22(27)24-19-9-5-4-8-18(19)23/h3-14H,1-2H3,(H-,24,26,27)