2-(1,3-benzodioxol-5-yl)-5-(4-bromanyl-1-methyl-pyrazol-3-yl)-1,3,4-oxadiazole

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-5-(4-bromanyl-1-methyl-pyrazol-3-yl)-1,3,4-oxadiazole Openeye Name: 2-(1,3-benzodioxol-5-yl)-5-(4-bromo-1-methyl-pyrazol-3-yl)-1,3,4-oxadiazole CAS Name: 2-(1,3-benzodioxol-5-yl)-5-(4-bromo-1-methyl-3-pyrazolyl)-1,3,4-oxadiazole IUPAC Name: 2-(1,3-benzodioxol-5-yl)-5-(4-bromo-1-methylpyrazol-3-yl)-1,3,4-oxadiazole Traditional Name: 2-(1,3-benzodioxol-5-yl)-5-(4-bromo-1-methyl-pyrazol-3-yl)-1,3,4-oxadiazole Formula: C13H9BrN4O3 MolecularWeight: 349.13956

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=NN=C(O2)C3=CC4=C(C=C3)OCO4)Br

Isomeric SMILES

CN1C=C(C(=N1)C2=NN=C(O2)C3=CC4=C(C=C3)OCO4)Br

InChI

InChI=1S/C13H9BrN4O3/c1-18-5-8(14)11(17-18)13-16-15-12(21-13)7-2-3-9-10(4-7)20-6-19-9/h2-5H,6H2,1H3