N-[6-[bis(fluoranyl)methoxy]-1,3-benzothiazol-2-yl]-4-bromanyl-3-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: N-[6-[bis(fluoranyl)methoxy]-1,3-benzothiazol-2-yl]-4-bromanyl-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-3-nitro-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-3-nitro-1H-pyrazole-5-carboxamide Formula: C12H6BrF2N5O4S MolecularWeight: 434.172946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1OC(F)F)SC(=N2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC2=C(C=C1OC(F)F)SC(=N2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br

InChI

InChI=1S/C12H6BrF2N5O4S/c13-7-8(18-19-9(7)20(22)23)10(21)17-12-16-5-2-1-4(24-11(14)15)3-6(5)25-12/h1-3,11H,(H,18,19)(H,16,17,21)