2-[[2,6-bis(trifluoromethyl)phenyl]methylsulfonyl-(cyanomethyl)amino]ethanethioamide

Systemtic Name: 2-[[2,6-bis(trifluoromethyl)phenyl]methylsulfonyl-(cyanomethyl)amino]ethanethioamide Openeye Name: 2-[[2,6-bis(trifluoromethyl)phenyl]methylsulfonyl-(cyanomethyl)amino]thioacetamide CAS Name: 2-[[2,6-bis(trifluoromethyl)phenyl]methylsulfonyl-(cyanomethyl)amino]ethanethioamide IUPAC Name: 2-[[2,6-bis(trifluoromethyl)phenyl]methylsulfonyl-(cyanomethyl)amino]ethanethioamide Traditional Name: 2-[[2,6-bis(trifluoromethyl)benzyl]sulfonyl-(cyanomethyl)amino]thioacetamide Formula: C13H11F6N3O2S2 MolecularWeight: 419.365759

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)C(F)(F)F)CS(=O)(=O)N(CC#N)CC(=S)N)C(F)(F)F

Isomeric SMILES

C1=CC(=C(C(=C1)C(F)(F)F)CS(=O)(=O)N(CC#N)CC(=S)N)C(F)(F)F

InChI

InChI=1S/C13H11F6N3O2S2/c14-12(15,16)9-2-1-3-10(13(17,18)19)8(9)7-26(23,24)22(5-4-20)6-11(21)25/h1-3H,5-7H2,(H2,21,25)