3-[(4-bromanylpyrazol-1-yl)methyl]-N-[2-(thiophen-2-ylcarbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide

Systemtic Name: 3-[(4-bromanylpyrazol-1-yl)methyl]-N-[2-(thiophen-2-ylcarbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide Openeye Name: 3-[(4-bromopyrazol-1-yl)methyl]-N-[2-(thiophene-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide CAS Name: 3-[(4-bromo-1-pyrazolyl)methyl]-N-[2-[[oxo(thiophen-2-yl)methyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide IUPAC Name: 3-[(4-bromopyrazol-1-yl)methyl]-N-[2-(thiophene-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide Traditional Name: 3-[(4-bromopyrazol-1-yl)methyl]-N-[2-(2-thenoylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide Formula: C14H13BrN6O3S MolecularWeight: 425.26042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)NCCNC(=O)C2=NC(=NO2)CN3C=C(C=N3)Br

Isomeric SMILES

C1=CSC(=C1)C(=O)NCCNC(=O)C2=NC(=NO2)CN3C=C(C=N3)Br

InChI

InChI=1S/C14H13BrN6O3S/c15-9-6-18-21(7-9)8-11-19-14(24-20-11)13(23)17-4-3-16-12(22)10-2-1-5-25-10/h1-2,5-7H,3-4,8H2,(H,16,22)(H,17,23)