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

Systemtic Name: N-[6-[bis(fluoranyl)methoxy]-1,3-benzothiazol-2-yl]-1-ethyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-1-ethyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-1-ethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-1-ethyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-1-ethyl-4-nitro-pyrazole-3-carboxamide Formula: C14H11F2N5O4S MolecularWeight: 383.330046

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC2=NC3=C(S2)C=C(C=C3)OC(F)F)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2=NC3=C(S2)C=C(C=C3)OC(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H11F2N5O4S/c1-2-20-6-9(21(23)24)11(19-20)12(22)18-14-17-8-4-3-7(25-13(15)16)5-10(8)26-14/h3-6,13H,2H2,1H3,(H,17,18,22)