2-[[3,4-bis(trifluoromethyl)phenyl]methylsulfonyl-methyl-amino]ethanethioamide

Systemtic Name: 2-[[3,4-bis(trifluoromethyl)phenyl]methylsulfonyl-methyl-amino]ethanethioamide Openeye Name: 2-[[3,4-bis(trifluoromethyl)phenyl]methylsulfonyl-methyl-amino]thioacetamide CAS Name: 2-[[3,4-bis(trifluoromethyl)phenyl]methylsulfonyl-methylamino]ethanethioamide IUPAC Name: 2-[[3,4-bis(trifluoromethyl)phenyl]methylsulfonyl-methylamino]ethanethioamide Traditional Name: 2-[[3,4-bis(trifluoromethyl)benzyl]sulfonyl-methyl-amino]thioacetamide Formula: C12H12F6N2O2S2 MolecularWeight: 394.356299

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=S)N)S(=O)(=O)CC1=CC(=C(C=C1)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CN(CC(=S)N)S(=O)(=O)CC1=CC(=C(C=C1)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C12H12F6N2O2S2/c1-20(5-10(19)23)24(21,22)6-7-2-3-8(11(13,14)15)9(4-7)12(16,17)18/h2-4H,5-6H2,1H3,(H2,19,23)