S-(1-oxidanidyl-4-propylsulfanyl-pyridin-1-ium-2-yl) ethanethioate

Systemtic Name: S-(1-oxidanidyl-4-propylsulfanyl-pyridin-1-ium-2-yl) ethanethioate Openeye Name: S-(1-oxido-4-propylsulfanyl-pyridin-1-ium-2-yl) ethanethioate CAS Name: ethanethioic acid S-[1-oxido-4-(propylthio)-2-pyridin-1-iumyl] ester IUPAC Name: S-(1-oxido-4-propylsulfanylpyridin-1-ium-2-yl) ethanethioate Traditional Name: ethanethioic acid S-[1-oxido-4-(propylthio)pyridin-1-ium-2-yl] ester Formula: C10H13NO2S2 MolecularWeight: 243.34572

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC(=[N+](C=C1)[O-])SC(=O)C

Isomeric SMILES

CCCSC1=CC(=[N+](C=C1)[O-])SC(=O)C

InChI

InChI=1S/C10H13NO2S2/c1-3-6-14-9-4-5-11(13)10(7-9)15-8(2)12/h4-5,7H,3,6H2,1-2H3