1-(4-fluorophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-phenylazanyl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: 1-(4-fluorophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-phenylazanyl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 3-anilino-1-(4-fluorophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-thioxo-prop-1-en-1-olate CAS Name: 3-anilino-1-(4-fluorophenyl)-2-[3-(hydroxymethyl)-1-pyridin-1-iumyl]-3-sulfanylidene-1-propen-1-olate IUPAC Name: 3-anilino-1-(4-fluorophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-sulfanylideneprop-1-en-1-olate Traditional Name: 3-anilino-1-(4-fluorophenyl)-2-(3-methylolpyridin-1-ium-1-yl)-3-thioxo-prop-1-en-1-olate Formula: C21H17FN2O2S MolecularWeight: 380.435283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17FN2O2S/c22-17-10-8-16(9-11-17)20(26)19(24-12-4-5-15(13-24)14-25)21(27)23-18-6-2-1-3-7-18/h1-13,25H,14H2,(H-,23,26,27)