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

Systemtic Name: [3-azanyl-5-[2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]-1H-pyrazol-4-yl] thiocyanate Openeye Name: [3-amino-5-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrazol-4-yl] thiocyanate CAS Name: thiocyanic acid [3-amino-5-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrazol-4-yl] ester IUPAC Name: [3-amino-5-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrazol-4-yl] thiocyanate Traditional Name: thiocyanic acid [3-amino-5-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrazol-4-yl] ester Formula: C11H6F2N4O2S MolecularWeight: 296.252746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H6F2N4O2S/c12-11(13)18-6-3-1-2-5(8(6)19-11)7-9(20-4-14)10(15)17-16-7/h1-3H,(H3,15,16,17)