2-[2,5-bis(chloranyl)phenyl]sulfanyl-N-(2-cyanopropan-2-yl)-N-methyl-ethanamide

Systemtic Name: 2-[2,5-bis(chloranyl)phenyl]sulfanyl-N-(2-cyanopropan-2-yl)-N-methyl-ethanamide Openeye Name: N-(1-cyano-1-methyl-ethyl)-2-(2,5-dichlorophenyl)sulfanyl-N-methyl-acetamide CAS Name: N-(2-cyanopropan-2-yl)-2-[(2,5-dichlorophenyl)thio]-N-methylacetamide IUPAC Name: N-(2-cyanopropan-2-yl)-2-(2,5-dichlorophenyl)sulfanyl-N-methylacetamide Traditional Name: N-(1-cyano-1-methyl-ethyl)-2-[(2,5-dichlorophenyl)thio]-N-methyl-acetamide Formula: C13H14Cl2N2OS MolecularWeight: 317.23406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)N(C)C(=O)CSC1=C(C=CC(=C1)Cl)Cl

Isomeric SMILES

CC(C)(C#N)N(C)C(=O)CSC1=C(C=CC(=C1)Cl)Cl

InChI

InChI=1S/C13H14Cl2N2OS/c1-13(2,8-16)17(3)12(18)7-19-11-6-9(14)4-5-10(11)15/h4-6H,7H2,1-3H3