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

Systemtic Name: 1-(2-chlorophenyl)-3-[(4-ethoxyphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(2-chlorophenyl)-3-(4-ethoxyanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(2-chlorophenyl)-3-(4-ethoxyanilino)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(2-chlorophenyl)-3-(4-ethoxyanilino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 1-(2-chlorophenyl)-3-mercapto-3-(p-phenetidino)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C22H20ClN2O2S+ MolecularWeight: 411.9244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=C(C(=O)C2=CC=CC=C2Cl)[N+]3=CC=CC=C3)S

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=C(C(=O)C2=CC=CC=C2Cl)[N+]3=CC=CC=C3)S

InChI

InChI=1S/C22H19ClN2O2S/c1-2-27-17-12-10-16(11-13-17)24-22(28)20(25-14-6-3-7-15-25)21(26)18-8-4-5-9-19(18)23/h3-15H,2H2,1H3,(H-,24,26,28)/p+1