2-(1-methyl-2H-pyridin-5-yl)-1-oxidanylidene-thiane-2-carbothioamide

Systemtic Name: 2-(1-methyl-2H-pyridin-5-yl)-1-oxidanylidene-thiane-2-carbothioamide Openeye Name: 2-(1-methyl-2H-pyridin-5-yl)-1-oxo-thiane-2-carbothioamide CAS Name: 2-(1-methyl-2H-pyridin-5-yl)-1-oxo-2-thianecarbothioamide IUPAC Name: 2-(1-methyl-2H-pyridin-5-yl)-1-oxothiane-2-carbothioamide Traditional Name: 1-keto-2-(1-methyl-2H-pyridin-5-yl)thiane-2-carbothioamide Formula: C12H18N2OS2 MolecularWeight: 270.41412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC=CC(=C1)C2(CCCCS2=O)C(=S)N

Isomeric SMILES

CN1CC=CC(=C1)C2(CCCCS2=O)C(=S)N

InChI

InChI=1S/C12H18N2OS2/c1-14-7-4-5-10(9-14)12(11(13)16)6-2-3-8-17(12)15/h4-5,9H,2-3,6-8H2,1H3,(H2,13,16)