S-methylsulfanyl 1-(5-bromanylpyridin-3-yl)-2-oxidanylidene-cyclohexane-1-carbothioate

Systemtic Name: S-methylsulfanyl 1-(5-bromanylpyridin-3-yl)-2-oxidanylidene-cyclohexane-1-carbothioate Openeye Name: S-methylsulfanyl 1-(5-bromo-3-pyridyl)-2-oxo-cyclohexanecarbothioate CAS Name: 1-(5-bromo-3-pyridinyl)-2-oxo-1-cyclohexanecarbothioic acid S-(methylthio) ester IUPAC Name: S-methylsulfanyl 1-(5-bromopyridin-3-yl)-2-oxocyclohexane-1-carbothioate Traditional Name: 1-(5-bromo-3-pyridyl)-2-keto-cyclohexanecarbothioic acid S-(methylthio) ester Formula: C13H14BrNO2S2 MolecularWeight: 360.28976

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Descriptors Computed from Structure

Canonical SMILES:

CSSC(=O)C1(CCCCC1=O)C2=CC(=CN=C2)Br

Isomeric SMILES

CSSC(=O)C1(CCCCC1=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C13H14BrNO2S2/c1-18-19-12(17)13(5-3-2-4-11(13)16)9-6-10(14)8-15-7-9/h6-8H,2-5H2,1H3