(E)-3-azanyl-N-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-but-2-enethioamide

Systemtic Name: (E)-3-azanyl-N-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-but-2-enethioamide Openeye Name: (E)-3-amino-N-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-but-2-enethioamide CAS Name: (E)-3-amino-N-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-2-butenethioamide IUPAC Name: (E)-3-amino-N-[3,5-bis(trifluoromethyl)phenyl]-2-cyanobut-2-enethioamide Traditional Name: (E)-3-amino-N-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-but-2-enethioamide Formula: C13H9F6N3S MolecularWeight: 353.286079

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9F6N3S/c1-6(21)10(5-20)11(23)22-9-3-7(12(14,15)16)2-8(4-9)13(17,18)19/h2-4H,21H2,1H3,(H,22,23)/b10-6+