2-[[3-bromanyl-5-(trifluoromethyl)phenyl]methylsulfonyl-prop-2-enyl-amino]ethanethioamide

Systemtic Name: 2-[[3-bromanyl-5-(trifluoromethyl)phenyl]methylsulfonyl-prop-2-enyl-amino]ethanethioamide Openeye Name: 2-[allyl-[[3-bromo-5-(trifluoromethyl)phenyl]methylsulfonyl]amino]thioacetamide CAS Name: 2-[[3-bromo-5-(trifluoromethyl)phenyl]methylsulfonyl-prop-2-enylamino]ethanethioamide IUPAC Name: 2-[[3-bromo-5-(trifluoromethyl)phenyl]methylsulfonyl-prop-2-enylamino]ethanethioamide Traditional Name: 2-[allyl-[3-bromo-5-(trifluoromethyl)benzyl]sulfonyl-amino]thioacetamide Formula: C13H14BrF3N2O2S2 MolecularWeight: 431.29167

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC(=S)N)S(=O)(=O)CC1=CC(=CC(=C1)Br)C(F)(F)F

Isomeric SMILES

C=CCN(CC(=S)N)S(=O)(=O)CC1=CC(=CC(=C1)Br)C(F)(F)F

InChI

InChI=1S/C13H14BrF3N2O2S2/c1-2-3-19(7-12(18)22)23(20,21)8-9-4-10(13(15,16)17)6-11(14)5-9/h2,4-6H,1,3,7-8H2,(H2,18,22)