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

Systemtic Name: (E)-1-(4-tert-butylphenyl)-3-[(2-fluorophenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-1-(4-tert-butylphenyl)-3-(2-fluoroanilino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-1-(4-tert-butylphenyl)-3-(2-fluoroanilino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-1-(4-tert-butylphenyl)-3-(2-fluoroanilino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-1-(4-tert-butylphenyl)-3-(2-fluoroanilino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C24H23FN2OS MolecularWeight: 406.515623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23FN2OS/c1-24(2,3)18-13-11-17(12-14-18)22(28)21(27-15-7-4-8-16-27)23(29)26-20-10-6-5-9-19(20)25/h4-16H,1-3H3,(H-,26,28,29)