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

Systemtic Name: 3-[(2-ethoxyphenyl)amino]-1-(4-fluorophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(2-ethoxyanilino)-1-(4-fluorophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(2-ethoxyanilino)-1-(4-fluorophenyl)-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(2-ethoxyanilino)-1-(4-fluorophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 1-(4-fluorophenyl)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)-3-(o-phenetidino)prop-2-en-1-one Formula: C23H22FN2O2S+ MolecularWeight: 409.496383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=C(C(=O)C2=CC=C(C=C2)F)[N+]3=CC=CC(=C3)C)S

Isomeric SMILES

CCOC1=CC=CC=C1NC(=C(C(=O)C2=CC=C(C=C2)F)[N+]3=CC=CC(=C3)C)S

InChI

InChI=1S/C23H21FN2O2S/c1-3-28-20-9-5-4-8-19(20)25-23(29)21(26-14-6-7-16(2)15-26)22(27)17-10-12-18(24)13-11-17/h4-15H,3H2,1-2H3,(H-,25,27,29)/p+1