4,5-bis(bromanyl)-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]-1H-pyrazole-3-carboxamide

Systemtic Name: 4,5-bis(bromanyl)-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]-1H-pyrazole-3-carboxamide Openeye Name: N-(1-benzyl-1,2,4-triazol-3-yl)-4,5-dibromo-1H-pyrazole-3-carboxamide CAS Name: 4,5-dibromo-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]-1H-pyrazole-3-carboxamide IUPAC Name: N-(1-benzyl-1,2,4-triazol-3-yl)-4,5-dibromo-1H-pyrazole-3-carboxamide Traditional Name: N-(1-benzyl-1,2,4-triazol-3-yl)-4,5-dibromo-1H-pyrazole-3-carboxamide Formula: C13H10Br2N6O MolecularWeight: 426.0661

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC(=N2)NC(=O)C3=NNC(=C3Br)Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC(=N2)NC(=O)C3=NNC(=C3Br)Br

InChI

InChI=1S/C13H10Br2N6O/c14-9-10(18-19-11(9)15)12(22)17-13-16-7-21(20-13)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,18,19)(H,17,20,22)