ethyl 5-(cyanomethylsulfanyl)-4-(4-methylpyridin-1-ium-1-yl)-5-sulfanyl-penta-2,4-dienoate

Systemtic Name: ethyl 5-(cyanomethylsulfanyl)-4-(4-methylpyridin-1-ium-1-yl)-5-sulfanyl-penta-2,4-dienoate Openeye Name: ethyl 5-(cyanomethylsulfanyl)-4-(4-methylpyridin-1-ium-1-yl)-5-sulfanyl-penta-2,4-dienoate CAS Name: 5-(cyanomethylthio)-5-mercapto-4-(4-methyl-1-pyridin-1-iumyl)penta-2,4-dienoic acid ethyl ester IUPAC Name: ethyl 5-(cyanomethylsulfanyl)-4-(4-methylpyridin-1-ium-1-yl)-5-sulfanylpenta-2,4-dienoate Traditional Name: 5-(cyanomethylthio)-5-mercapto-4-(4-methylpyridin-1-ium-1-yl)penta-2,4-dienoic acid ethyl ester Formula: C15H17N2O2S2+ MolecularWeight: 321.43768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=C(S)SCC#N)[N+]1=CC=C(C=C1)C

Isomeric SMILES

CCOC(=O)C=CC(=C(S)SCC#N)[N+]1=CC=C(C=C1)C

InChI

InChI=1S/C15H16N2O2S2/c1-3-19-14(18)5-4-13(15(20)21-11-8-16)17-9-6-12(2)7-10-17/h4-7,9-10H,3,11H2,1-2H3/p+1