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

Systemtic Name: 3-[(2-ethoxyphenyl)amino]-1-(4-ethylphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(2-ethoxyanilino)-1-(4-ethylphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(2-ethoxyanilino)-1-(4-ethylphenyl)-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(2-ethoxyanilino)-1-(4-ethylphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 1-(4-ethylphenyl)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)-3-(o-phenetidino)prop-2-en-1-one Formula: C25H27N2O2S+ MolecularWeight: 419.55908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(=C(NC2=CC=CC=C2OCC)S)[N+]3=CC=CC(=C3)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(=C(NC2=CC=CC=C2OCC)S)[N+]3=CC=CC(=C3)C

InChI

InChI=1S/C25H26N2O2S/c1-4-19-12-14-20(15-13-19)24(28)23(27-16-8-9-18(3)17-27)25(30)26-21-10-6-7-11-22(21)29-5-2/h6-17H,4-5H2,1-3H3,(H-,26,28,30)/p+1