S-[3-[6-(3-ethanoylsulfanylprop-1-ynyl)pyridin-2-yl]prop-2-ynyl] ethanethioate

Systemtic Name: S-[3-[6-(3-ethanoylsulfanylprop-1-ynyl)pyridin-2-yl]prop-2-ynyl] ethanethioate Openeye Name: S-[3-[6-(3-acetylsulfanylprop-1-ynyl)-2-pyridyl]prop-2-ynyl] ethanethioate CAS Name: ethanethioic acid S-[3-[6-[3-(acetylthio)prop-1-ynyl]-2-pyridinyl]prop-2-ynyl] ester IUPAC Name: S-[3-[6-(3-acetylsulfanylprop-1-ynyl)pyridin-2-yl]prop-2-ynyl] ethanethioate Traditional Name: ethanethioic acid S-[3-[6-[3-(acetylthio)prop-1-ynyl]-2-pyridyl]prop-2-ynyl] ester Formula: C15H13NO2S2 MolecularWeight: 303.39922

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC#CC1=NC(=CC=C1)C#CCSC(=O)C

Isomeric SMILES

CC(=O)SCC#CC1=NC(=CC=C1)C#CCSC(=O)C

InChI

InChI=1S/C15H13NO2S2/c1-12(17)19-10-4-8-14-6-3-7-15(16-14)9-5-11-20-13(2)18/h3,6-7H,10-11H2,1-2H3