ethyl 5-(cyanomethylsulfanyl)-4-(3,5-dimethylpyridin-1-ium-1-yl)-5-sulfanyl-penta-2,4-dienoate

Systemtic Name: ethyl 5-(cyanomethylsulfanyl)-4-(3,5-dimethylpyridin-1-ium-1-yl)-5-sulfanyl-penta-2,4-dienoate Openeye Name: ethyl 5-(cyanomethylsulfanyl)-4-(3,5-dimethylpyridin-1-ium-1-yl)-5-sulfanyl-penta-2,4-dienoate CAS Name: 5-(cyanomethylthio)-4-(3,5-dimethyl-1-pyridin-1-iumyl)-5-mercaptopenta-2,4-dienoic acid ethyl ester IUPAC Name: ethyl 5-(cyanomethylsulfanyl)-4-(3,5-dimethylpyridin-1-ium-1-yl)-5-sulfanylpenta-2,4-dienoate Traditional Name: 5-(cyanomethylthio)-4-(3,5-dimethylpyridin-1-ium-1-yl)-5-mercapto-penta-2,4-dienoic acid ethyl ester Formula: C16H19N2O2S2+ MolecularWeight: 335.46426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O2S2/c1-4-20-15(19)6-5-14(16(21)22-8-7-17)18-10-12(2)9-13(3)11-18/h5-6,9-11H,4,8H2,1-3H3/p+1