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

Systemtic Name: 1-(4-ethylphenyl)-3-[(3-ethylphenyl)amino]-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 3-(3-ethylanilino)-1-(4-ethylphenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-thioxo-prop-1-en-1-olate CAS Name: 3-(3-ethylanilino)-1-(4-ethylphenyl)-2-[3-(hydroxymethyl)-1-pyridin-1-iumyl]-3-sulfanylidene-1-propen-1-olate IUPAC Name: 3-(3-ethylanilino)-1-(4-ethylphenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-sulfanylideneprop-1-en-1-olate Traditional Name: 3-(3-ethylanilino)-1-(4-ethylphenyl)-2-(3-methylolpyridin-1-ium-1-yl)-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(=C2)CC)[N+]3=CC=CC(=C3)CO)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O2S/c1-3-18-10-12-21(13-11-18)24(29)23(27-14-6-8-20(16-27)17-28)25(30)26-22-9-5-7-19(4-2)15-22/h5-16,28H,3-4,17H2,1-2H3,(H-,26,29,30)