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

Systemtic Name: N-[6-[bis(fluoranyl)methoxy]-1,3-benzothiazol-2-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide CAS Name: N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Formula: C13H9F2N5O5S MolecularWeight: 385.302866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NNC(=C1[N+](=O)[O-])C(=O)NC2=NC3=C(S2)C=C(C=C3)OC(F)F

Isomeric SMILES

COC1=NNC(=C1[N+](=O)[O-])C(=O)NC2=NC3=C(S2)C=C(C=C3)OC(F)F

InChI

InChI=1S/C13H9F2N5O5S/c1-24-11-9(20(22)23)8(18-19-11)10(21)17-13-16-6-3-2-5(25-12(14)15)4-7(6)26-13/h2-4,12H,1H3,(H,18,19)(H,16,17,21)