(E)-3-[(4-fluorophenyl)amino]-1-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-3-[(4-fluorophenyl)amino]-1-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-3-(4-fluoroanilino)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-3-(4-fluoroanilino)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-3-(4-fluoroanilino)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-3-(4-fluoroanilino)-1-(3-keto-4H-1,4-benzoxazin-6-yl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C22H16FN3O3S MolecularWeight: 421.444143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(=C(C(=S)NC3=CC=C(C=C3)F)[N+]4=CC=CC=C4)[O-]

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)/C(=C(/C(=S)NC3=CC=C(C=C3)F)\[N+]4=CC=CC=C4)/[O-]

InChI

InChI=1S/C22H16FN3O3S/c23-15-5-7-16(8-6-15)24-22(30)20(26-10-2-1-3-11-26)21(28)14-4-9-18-17(12-14)25-19(27)13-29-18/h1-12H,13H2,(H2-,24,25,27,28,30)