(E)-3-azanyl-N-[3-bromanyl-4-(trifluoromethyl)phenyl]-2-cyano-but-2-enethioamide

Systemtic Name: (E)-3-azanyl-N-[3-bromanyl-4-(trifluoromethyl)phenyl]-2-cyano-but-2-enethioamide Openeye Name: (E)-3-amino-N-[3-bromo-4-(trifluoromethyl)phenyl]-2-cyano-but-2-enethioamide CAS Name: (E)-3-amino-N-[3-bromo-4-(trifluoromethyl)phenyl]-2-cyano-2-butenethioamide IUPAC Name: (E)-3-amino-N-[3-bromo-4-(trifluoromethyl)phenyl]-2-cyanobut-2-enethioamide Traditional Name: (E)-3-amino-N-[3-bromo-4-(trifluoromethyl)phenyl]-2-cyano-but-2-enethioamide Formula: C12H9BrF3N3S MolecularWeight: 364.18417

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=S)NC1=CC(=C(C=C1)C(F)(F)F)Br)N

Isomeric SMILES

C/C(=C(/C#N)\C(=S)NC1=CC(=C(C=C1)C(F)(F)F)Br)/N

InChI

InChI=1S/C12H9BrF3N3S/c1-6(18)8(5-17)11(20)19-7-2-3-9(10(13)4-7)12(14,15)16/h2-4H,18H2,1H3,(H,19,20)/b8-6+