(2S)-N-methyl-1-oxidanylidene-2-pyridin-3-yl-thiane-2-carbothioamide

Systemtic Name: (2S)-N-methyl-1-oxidanylidene-2-pyridin-3-yl-thiane-2-carbothioamide Openeye Name: (2S)-N-methyl-1-oxo-2-(3-pyridyl)thiane-2-carbothioamide CAS Name: (2S)-N-methyl-1-oxo-2-(3-pyridinyl)-2-thianecarbothioamide IUPAC Name: (2S)-N-methyl-1-oxo-2-pyridin-3-ylthiane-2-carbothioamide Traditional Name: (2S)-1-keto-N-methyl-2-(3-pyridyl)thiane-2-carbothioamide Formula: C12H16N2OS2 MolecularWeight: 268.39824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CNC(=S)[C@]1(CCCCS1=O)C2=CN=CC=C2

InChI

InChI=1S/C12H16N2OS2/c1-13-11(16)12(6-2-3-8-17(12)15)10-5-4-7-14-9-10/h4-5,7,9H,2-3,6,8H2,1H3,(H,13,16)/t12-,17?/m0/s1