3-[(2-ethoxyphenyl)amino]-1-(4-ethylphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: 3-[(2-ethoxyphenyl)amino]-1-(4-ethylphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 3-(2-ethoxyanilino)-1-(4-ethylphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-thioxo-prop-1-en-1-olate CAS Name: 3-(2-ethoxyanilino)-1-(4-ethylphenyl)-2-(3-methyl-1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 3-(2-ethoxyanilino)-1-(4-ethylphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylideneprop-1-en-1-olate Traditional Name: 1-(4-ethylphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-(o-phenetidino)-3-thioxo-prop-1-en-1-olate Formula: C25H26N2O2S MolecularWeight: 418.55114

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=C(C(=S)NC2=CC=CC=C2OCC)[N+]3=CC=CC(=C3)C)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C(=C(C(=S)NC2=CC=CC=C2OCC)[N+]3=CC=CC(=C3)C)[O-]

InChI

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