methyl 1,1-bis(oxidanylidene)-2-pyridin-3-yl-thiane-2-carbodithioate

Systemtic Name: methyl 1,1-bis(oxidanylidene)-2-pyridin-3-yl-thiane-2-carbodithioate Openeye Name: methyl 1,1-dioxo-2-(3-pyridyl)thiane-2-carbodithioate CAS Name: 1,1-dioxo-2-(3-pyridinyl)-2-thianecarbodithioic acid methyl ester IUPAC Name: methyl 1,1-dioxo-2-pyridin-3-ylthiane-2-carbodithioate Traditional Name: 1,1-diketo-2-(3-pyridyl)thiane-2-carbodithioic acid methyl ester Formula: C12H15NO2S3 MolecularWeight: 301.448

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=S)C1(CCCCS1(=O)=O)C2=CN=CC=C2

Isomeric SMILES

CSC(=S)C1(CCCCS1(=O)=O)C2=CN=CC=C2

InChI

InChI=1S/C12H15NO2S3/c1-17-11(16)12(10-5-4-7-13-9-10)6-2-3-8-18(12,14)15/h4-5,7,9H,2-3,6,8H2,1H3