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

Systemtic Name: (E)-3-[(3,4-dimethylphenyl)amino]-1-(4-fluorophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-3-(3,4-dimethylanilino)-1-(4-fluorophenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-3-(3,4-dimethylanilino)-1-(4-fluorophenyl)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-3-(3,4-dimethylanilino)-1-(4-fluorophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-3-(3,4-dimethylanilino)-1-(4-fluorophenyl)-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)NC(=S)C(=C(C2=CC=C(C=C2)F)[O-])[N+]3=CC=CC=C3)C

Isomeric SMILES

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

InChI

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