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

Systemtic Name: 1-(4-ethylphenyl)-3-[(3-methoxyphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(4-ethylphenyl)-3-(3-methoxyanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(4-ethylphenyl)-3-mercapto-3-(3-methoxyanilino)-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(4-ethylphenyl)-3-(3-methoxyanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 1-(4-ethylphenyl)-3-(m-anisidino)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)prop-2-en-1-one Formula: C24H25N2O2S+ MolecularWeight: 405.5325

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(=C(NC2=CC(=CC=C2)OC)S)[N+]3=CC=CC(=C3)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(=C(NC2=CC(=CC=C2)OC)S)[N+]3=CC=CC(=C3)C

InChI

InChI=1S/C24H24N2O2S/c1-4-18-10-12-19(13-11-18)23(27)22(26-14-6-7-17(2)16-26)24(29)25-20-8-5-9-21(15-20)28-3/h5-16H,4H2,1-3H3,(H-,25,27,29)/p+1