3-[(3-chlorophenyl)amino]-1-(4-fluorophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 3-[(3-chlorophenyl)amino]-1-(4-fluorophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(3-chloroanilino)-1-(4-fluorophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(3-chloroanilino)-1-(4-fluorophenyl)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(3-chloroanilino)-1-(4-fluorophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-(3-chloroanilino)-1-(4-fluorophenyl)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C20H15ClFN2OS+ MolecularWeight: 385.862303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C(=C(NC2=CC(=CC=C2)Cl)S)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=[N+](C=C1)C(=C(NC2=CC(=CC=C2)Cl)S)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H14ClFN2OS/c21-15-5-4-6-17(13-15)23-20(26)18(24-11-2-1-3-12-24)19(25)14-7-9-16(22)10-8-14/h1-13H,(H-,23,25,26)/p+1