methyl (E)-3-methylsulfanyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-enedithioate

Systemtic Name: methyl (E)-3-methylsulfanyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-enedithioate Openeye Name: methyl (E)-3-methylsulfanyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-enedithioate CAS Name: (E)-3-mercapto-3-(methylthio)-2-(1-pyridin-1-iumyl)-2-propenedithioic acid methyl ester IUPAC Name: methyl (E)-3-methylsulfanyl-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-enedithioate Traditional Name: (E)-3-mercapto-3-(methylthio)-2-pyridin-1-ium-1-yl-prop-2-enedithioic acid methyl ester Formula: C10H12NS4+ MolecularWeight: 274.46898

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C(C(=S)SC)[N+]1=CC=CC=C1)S

Isomeric SMILES

CS/C(=C(\C(=S)SC)/[N+]1=CC=CC=C1)/S

InChI

InChI=1S/C10H11NS4/c1-14-9(12)8(10(13)15-2)11-6-4-3-5-7-11/h3-7H,1-2H3/p+1