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

Systemtic Name: 1-(4-ethylphenyl)-3-[(4-methoxyphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(4-ethylphenyl)-3-(4-methoxyanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(4-ethylphenyl)-3-mercapto-3-(4-methoxyanilino)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(4-ethylphenyl)-3-(4-methoxyanilino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 1-(4-ethylphenyl)-3-mercapto-3-(p-anisidino)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C23H23N2O2S+ MolecularWeight: 391.50592

Click to see the large picture

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O2S/c1-3-17-7-9-18(10-8-17)22(26)21(25-15-5-4-6-16-25)23(28)24-19-11-13-20(27-2)14-12-19/h4-16H,3H2,1-2H3,(H-,24,26,28)/p+1