2-(4-chlorophenyl)-5-(dimethylamino)-1-oxidanylidene-1,3-dithiane-2-carbonitrile; ethanedioic acid

Systemtic Name: 2-(4-chlorophenyl)-5-(dimethylamino)-1-oxidanylidene-1,3-dithiane-2-carbonitrile; ethanedioic acid Openeye Name: 2-(4-chlorophenyl)-5-(dimethylamino)-1-oxo-1,3-dithiane-2-carbonitrile; oxalic acid CAS Name: 2-(4-chlorophenyl)-5-(dimethylamino)-1-oxo-1,3-dithiane-2-carbonitrile; oxalic acid IUPAC Name: 2-(4-chlorophenyl)-5-(dimethylamino)-1-oxo-1,3-dithiane-2-carbonitrile; oxalic acid Traditional Name: 2-(4-chlorophenyl)-5-(dimethylamino)-1-keto-1,3-dithiane-2-carbonitrile; oxalic acid Formula: C15H17ClN2O5S2 MolecularWeight: 404.88888

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1CSC(S(=O)C1)(C#N)C2=CC=C(C=C2)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)C1CSC(S(=O)C1)(C#N)C2=CC=C(C=C2)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H15ClN2OS2.C2H2O4/c1-16(2)12-7-18-13(9-15,19(17)8-12)10-3-5-11(14)6-4-10;3-1(4)2(5)6/h3-6,12H,7-8H2,1-2H3;(H,3,4)(H,5,6)