2-[2-azanyl-4-(trifluoromethyl)phenyl]sulfanyl-N-(2-cyanoethyl)-N-methyl-ethanamide

Systemtic Name: 2-[2-azanyl-4-(trifluoromethyl)phenyl]sulfanyl-N-(2-cyanoethyl)-N-methyl-ethanamide Openeye Name: 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-(2-cyanoethyl)-N-methyl-acetamide CAS Name: 2-[[2-amino-4-(trifluoromethyl)phenyl]thio]-N-(2-cyanoethyl)-N-methylacetamide IUPAC Name: 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-(2-cyanoethyl)-N-methylacetamide Traditional Name: 2-[[2-amino-4-(trifluoromethyl)phenyl]thio]-N-(2-cyanoethyl)-N-methyl-acetamide Formula: C13H14F3N3OS MolecularWeight: 317.32997

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CSC1=C(C=C(C=C1)C(F)(F)F)N

Isomeric SMILES

CN(CCC#N)C(=O)CSC1=C(C=C(C=C1)C(F)(F)F)N

InChI

InChI=1S/C13H14F3N3OS/c1-19(6-2-5-17)12(20)8-21-11-4-3-9(7-10(11)18)13(14,15)16/h3-4,7H,2,6,8,18H2,1H3