3-[3,4-bis(fluoranyl)phenyl]sulfanyl-N-(2-cyanoethyl)-N-methyl-propanamide

Systemtic Name: 3-[3,4-bis(fluoranyl)phenyl]sulfanyl-N-(2-cyanoethyl)-N-methyl-propanamide Openeye Name: N-(2-cyanoethyl)-3-(3,4-difluorophenyl)sulfanyl-N-methyl-propanamide CAS Name: N-(2-cyanoethyl)-3-[(3,4-difluorophenyl)thio]-N-methylpropanamide IUPAC Name: N-(2-cyanoethyl)-3-(3,4-difluorophenyl)sulfanyl-N-methylpropanamide Traditional Name: N-(2-cyanoethyl)-3-[(3,4-difluorophenyl)thio]-N-methyl-propionamide Formula: C13H14F2N2OS MolecularWeight: 284.324866

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CCSC1=CC(=C(C=C1)F)F

Isomeric SMILES

CN(CCC#N)C(=O)CCSC1=CC(=C(C=C1)F)F

InChI

InChI=1S/C13H14F2N2OS/c1-17(7-2-6-16)13(18)5-8-19-10-3-4-11(14)12(15)9-10/h3-4,9H,2,5,7-8H2,1H3