(E)-3-azanyl-2-cyano-N-[2,4,6-tris(fluoranyl)phenyl]but-2-enethioamide

Systemtic Name: (E)-3-azanyl-2-cyano-N-[2,4,6-tris(fluoranyl)phenyl]but-2-enethioamide Openeye Name: (E)-3-amino-2-cyano-N-(2,4,6-trifluorophenyl)but-2-enethioamide CAS Name: (E)-3-amino-2-cyano-N-(2,4,6-trifluorophenyl)-2-butenethioamide IUPAC Name: (E)-3-amino-2-cyano-N-(2,4,6-trifluorophenyl)but-2-enethioamide Traditional Name: (E)-3-amino-2-cyano-N-(2,4,6-trifluorophenyl)but-2-enethioamide Formula: C11H8F3N3S MolecularWeight: 271.26153

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=S)NC1=C(C=C(C=C1F)F)F)N

Isomeric SMILES

C/C(=C(/C#N)\C(=S)NC1=C(C=C(C=C1F)F)F)/N

InChI

InChI=1S/C11H8F3N3S/c1-5(16)7(4-15)11(18)17-10-8(13)2-6(12)3-9(10)14/h2-3H,16H2,1H3,(H,17,18)/b7-5+