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

Systemtic Name: N-[6-[bis(fluoranyl)methoxy]-1,3-benzothiazol-2-yl]-4-bromanyl-1-methyl-pyrazole-3-carboxamide Openeye Name: 4-bromo-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-1-methyl-pyrazole-3-carboxamide CAS Name: 4-bromo-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-1-methyl-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-1-methylpyrazole-3-carboxamide Traditional Name: 4-bromo-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-1-methyl-pyrazole-3-carboxamide Formula: C13H9BrF2N4O2S MolecularWeight: 403.201966

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NC2=NC3=C(S2)C=C(C=C3)OC(F)F)Br

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NC2=NC3=C(S2)C=C(C=C3)OC(F)F)Br

InChI

InChI=1S/C13H9BrF2N4O2S/c1-20-5-7(14)10(19-20)11(21)18-13-17-8-3-2-6(22-12(15)16)4-9(8)23-13/h2-5,12H,1H3,(H,17,18,21)