(E)-3-[(4-ethoxyphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-1-(2,4,5-trimethylphenyl)prop-1-en-1-olate

Systemtic Name: (E)-3-[(4-ethoxyphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-1-(2,4,5-trimethylphenyl)prop-1-en-1-olate Openeye Name: (E)-3-(4-ethoxyanilino)-2-pyridin-1-ium-1-yl-3-thioxo-1-(2,4,5-trimethylphenyl)prop-1-en-1-olate CAS Name: (E)-3-(4-ethoxyanilino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-(2,4,5-trimethylphenyl)-1-propen-1-olate IUPAC Name: (E)-3-(4-ethoxyanilino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-1-(2,4,5-trimethylphenyl)prop-1-en-1-olate Traditional Name: (E)-3-(p-phenetidino)-2-pyridin-1-ium-1-yl-3-thioxo-1-(2,4,5-trimethylphenyl)prop-1-en-1-olate Formula: C25H26N2O2S MolecularWeight: 418.55114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)C(=C(C2=CC(=C(C=C2C)C)C)[O-])[N+]3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)/C(=C(/C2=CC(=C(C=C2C)C)C)\[O-])/[N+]3=CC=CC=C3

InChI

InChI=1S/C25H26N2O2S/c1-5-29-21-11-9-20(10-12-21)26-25(30)23(27-13-7-6-8-14-27)24(28)22-16-18(3)17(2)15-19(22)4/h6-16H,5H2,1-4H3,(H-,26,28,30)