[5-[2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]-1H-pyrazol-4-yl] thiocyanate

Systemtic Name: [5-[2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]-1H-pyrazol-4-yl] thiocyanate Openeye Name: [5-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrazol-4-yl] thiocyanate CAS Name: thiocyanic acid [5-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrazol-4-yl] ester IUPAC Name: [5-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrazol-4-yl] thiocyanate Traditional Name: thiocyanic acid [5-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrazol-4-yl] ester Formula: C11H5F2N3O2S MolecularWeight: 281.238106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)OC(O2)(F)F)C3=C(C=NN3)SC#N

Isomeric SMILES

C1=CC(=C2C(=C1)OC(O2)(F)F)C3=C(C=NN3)SC#N

InChI

InChI=1S/C11H5F2N3O2S/c12-11(13)17-7-3-1-2-6(10(7)18-11)9-8(19-5-14)4-15-16-9/h1-4H,(H,15,16)