5-(dimethylamino)-2-(phenylsulfonyl)-1,3-dithiane-2-carbonitrile

Systemtic Name: 5-(dimethylamino)-2-(phenylsulfonyl)-1,3-dithiane-2-carbonitrile Openeye Name: 2-(benzenesulfonyl)-5-(dimethylamino)-1,3-dithiane-2-carbonitrile CAS Name: 2-(benzenesulfonyl)-5-(dimethylamino)-1,3-dithiane-2-carbonitrile IUPAC Name: 2-(benzenesulfonyl)-5-(dimethylamino)-1,3-dithiane-2-carbonitrile Traditional Name: 2-besyl-5-(dimethylamino)-1,3-dithiane-2-carbonitrile Formula: C13H16N2O2S3 MolecularWeight: 328.47334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1CSC(SC1)(C#N)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CN(C)C1CSC(SC1)(C#N)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H16N2O2S3/c1-15(2)11-8-18-13(10-14,19-9-11)20(16,17)12-6-4-3-5-7-12/h3-7,11H,8-9H2,1-2H3