3-(1,3-benzothiazol-2-yl)-4,4,4-tris(fluoranyl)-2-methylidene-3-oxidanyl-butanenitrile

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-4,4,4-tris(fluoranyl)-2-methylidene-3-oxidanyl-butanenitrile Openeye Name: 3-(1,3-benzothiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-2-methylene-butanenitrile CAS Name: 3-(1,3-benzothiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-2-methylenebutanenitrile IUPAC Name: 3-(1,3-benzothiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-2-methylidenebutanenitrile Traditional Name: 2-[1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoro-1-hydroxy-ethyl]acrylonitrile Formula: C12H7F3N2OS MolecularWeight: 284.25699

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C(C#N)C(C1=NC2=CC=CC=C2S1)(C(F)(F)F)O

Isomeric SMILES

C=C(C#N)C(C1=NC2=CC=CC=C2S1)(C(F)(F)F)O

InChI

InChI=1S/C12H7F3N2OS/c1-7(6-16)11(18,12(13,14)15)10-17-8-4-2-3-5-9(8)19-10/h2-5,18H,1H2