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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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