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

Systemtic Name: (E)-3-azanyl-2-cyano-N-[4-(trifluoromethyloxy)phenyl]but-2-enethioamide Openeye Name: (E)-3-amino-2-cyano-N-[4-(trifluoromethoxy)phenyl]but-2-enethioamide CAS Name: (E)-3-amino-2-cyano-N-[4-(trifluoromethoxy)phenyl]-2-butenethioamide IUPAC Name: (E)-3-amino-2-cyano-N-[4-(trifluoromethoxy)phenyl]but-2-enethioamide Traditional Name: (E)-3-amino-2-cyano-N-[4-(trifluoromethoxy)phenyl]but-2-enethioamide Formula: C12H10F3N3OS MolecularWeight: 301.28751

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10F3N3OS/c1-7(17)10(6-16)11(20)18-8-2-4-9(5-3-8)19-12(13,14)15/h2-5H,17H2,1H3,(H,18,20)/b10-7+