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

Systemtic Name: ethyl 5-(cyanomethylsulfanyl)-4-pyridin-1-ium-1-yl-5-sulfanyl-penta-2,4-dienoate Openeye Name: ethyl 5-(cyanomethylsulfanyl)-4-pyridin-1-ium-1-yl-5-sulfanyl-penta-2,4-dienoate CAS Name: 5-(cyanomethylthio)-5-mercapto-4-(1-pyridin-1-iumyl)penta-2,4-dienoic acid ethyl ester IUPAC Name: ethyl 5-(cyanomethylsulfanyl)-4-pyridin-1-ium-1-yl-5-sulfanylpenta-2,4-dienoate Traditional Name: 5-(cyanomethylthio)-5-mercapto-4-pyridin-1-ium-1-yl-penta-2,4-dienoic acid ethyl ester Formula: C14H15N2O2S2+ MolecularWeight: 307.4111

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O2S2/c1-2-18-13(17)7-6-12(14(19)20-11-8-15)16-9-4-3-5-10-16/h3-7,9-10H,2,11H2,1H3/p+1