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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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