2-(4-tert-butylpyridin-1-ium-1-yl)-3-[(4-ethoxyphenyl)amino]-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-[(4-ethoxyphenyl)amino]-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(4-ethoxyanilino)-3-sulfanyl-1-(2-thienyl)prop-2-en-1-one CAS Name: 2-(4-tert-butyl-1-pyridin-1-iumyl)-3-(4-ethoxyanilino)-3-mercapto-1-thiophen-2-yl-2-propen-1-one IUPAC Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(4-ethoxyanilino)-3-sulfanyl-1-thiophen-2-ylprop-2-en-1-one Traditional Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-mercapto-3-(p-phenetidino)-1-(2-thienyl)prop-2-en-1-one Formula: C24H27N2O2S2+ MolecularWeight: 439.61338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=C(C(=O)C2=CC=CS2)[N+]3=CC=C(C=C3)C(C)(C)C)S

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=C(C(=O)C2=CC=CS2)[N+]3=CC=C(C=C3)C(C)(C)C)S

InChI

InChI=1S/C24H26N2O2S2/c1-5-28-19-10-8-18(9-11-19)25-23(29)21(22(27)20-7-6-16-30-20)26-14-12-17(13-15-26)24(2,3)4/h6-16H,5H2,1-4H3,(H-,25,27,29)/p+1