3-[(2-fluorophenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: 3-[(2-fluorophenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: 3-(2-fluoroanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-1-(2-thienyl)prop-2-en-1-one CAS Name: 3-(2-fluoroanilino)-3-mercapto-2-(1-pyridin-1-iumyl)-1-thiophen-2-yl-2-propen-1-one IUPAC Name: 3-(2-fluoroanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-1-thiophen-2-ylprop-2-en-1-one Traditional Name: 3-(2-fluoroanilino)-3-mercapto-2-pyridin-1-ium-1-yl-1-(2-thienyl)prop-2-en-1-one Formula: C18H14FN2OS2+ MolecularWeight: 357.444963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C(=C(NC2=CC=CC=C2F)S)C(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=[N+](C=C1)C(=C(NC2=CC=CC=C2F)S)C(=O)C3=CC=CS3

InChI

InChI=1S/C18H13FN2OS2/c19-13-7-2-3-8-14(13)20-18(23)16(21-10-4-1-5-11-21)17(22)15-9-6-12-24-15/h1-12H,(H-,20,22,23)/p+1