N-methyl-4-oxidanylidene-3-pyridin-3-yl-1,4-oxathiane-3-carbothioamide

Systemtic Name: N-methyl-4-oxidanylidene-3-pyridin-3-yl-1,4-oxathiane-3-carbothioamide Openeye Name: N-methyl-4-oxo-3-(3-pyridyl)-1,4-oxathiane-3-carbothioamide CAS Name: N-methyl-4-oxo-3-(3-pyridinyl)-1,4-oxathiane-3-carbothioamide IUPAC Name: N-methyl-4-oxo-3-pyridin-3-yl-1,4-oxathiane-3-carbothioamide Traditional Name: 4-keto-N-methyl-3-(3-pyridyl)-1,4-oxathiane-3-carbothioamide Formula: C11H14N2O2S2 MolecularWeight: 270.37106

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C1(COCCS1=O)C2=CN=CC=C2

Isomeric SMILES

CNC(=S)C1(COCCS1=O)C2=CN=CC=C2

InChI

InChI=1S/C11H14N2O2S2/c1-12-10(16)11(8-15-5-6-17(11)14)9-3-2-4-13-7-9/h2-4,7H,5-6,8H2,1H3,(H,12,16)