methyl (1R,2R)-2-(6-chloranylpyridin-3-yl)-1-oxidanylidene-thiane-2-carbodithioate

Systemtic Name: methyl (1R,2R)-2-(6-chloranylpyridin-3-yl)-1-oxidanylidene-thiane-2-carbodithioate Openeye Name: methyl (1R,2R)-2-(6-chloro-3-pyridyl)-1-oxo-thiane-2-carbodithioate CAS Name: (1R,2R)-2-(6-chloro-3-pyridinyl)-1-oxo-2-thianecarbodithioic acid methyl ester IUPAC Name: methyl (1R,2R)-2-(6-chloropyridin-3-yl)-1-oxothiane-2-carbodithioate Traditional Name: (1R,2R)-2-(6-chloro-3-pyridyl)-1-keto-thiane-2-carbodithioic acid methyl ester Formula: C12H14ClNOS3 MolecularWeight: 319.89366

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=S)C1(CCCCS1=O)C2=CN=C(C=C2)Cl

Isomeric SMILES

CSC(=S)[C@@]1(CCCC[S@]1=O)C2=CN=C(C=C2)Cl

InChI

InChI=1S/C12H14ClNOS3/c1-17-11(16)12(6-2-3-7-18(12)15)9-4-5-10(13)14-8-9/h4-5,8H,2-3,6-7H2,1H3/t12-,18-/m1/s1