1-(3-chloranyl-5-fluoranyl-phenyl)-N-(cyanomethyl)-N-(2-ethylsulfanylethyl)methanesulfonamide

Systemtic Name: 1-(3-chloranyl-5-fluoranyl-phenyl)-N-(cyanomethyl)-N-(2-ethylsulfanylethyl)methanesulfonamide Openeye Name: 1-(3-chloro-5-fluoro-phenyl)-N-(cyanomethyl)-N-(2-ethylsulfanylethyl)methanesulfonamide CAS Name: 1-(3-chloro-5-fluorophenyl)-N-(cyanomethyl)-N-[2-(ethylthio)ethyl]methanesulfonamide IUPAC Name: 1-(3-chloro-5-fluorophenyl)-N-(cyanomethyl)-N-(2-ethylsulfanylethyl)methanesulfonamide Traditional Name: 1-(3-chloro-5-fluoro-phenyl)-N-(cyanomethyl)-N-[2-(ethylthio)ethyl]methanesulfonamide Formula: C13H16ClFN2O2S2 MolecularWeight: 350.859743

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCN(CC#N)S(=O)(=O)CC1=CC(=CC(=C1)Cl)F

Isomeric SMILES

CCSCCN(CC#N)S(=O)(=O)CC1=CC(=CC(=C1)Cl)F

InChI

InChI=1S/C13H16ClFN2O2S2/c1-2-20-6-5-17(4-3-16)21(18,19)10-11-7-12(14)9-13(15)8-11/h7-9H,2,4-6,10H2,1H3