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

Systemtic Name: 4-iodanyl-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide Openeye Name: N-(1-benzyl-1,2,4-triazol-3-yl)-4-iodo-1H-pyrazole-5-carboxamide CAS Name: 4-iodo-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide IUPAC Name: N-(1-benzyl-1,2,4-triazol-3-yl)-4-iodo-1H-pyrazole-5-carboxamide Traditional Name: N-(1-benzyl-1,2,4-triazol-3-yl)-4-iodo-1H-pyrazole-5-carboxamide Formula: C13H11IN6O MolecularWeight: 394.17051

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC(=N2)NC(=O)C3=C(C=NN3)I

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC(=N2)NC(=O)C3=C(C=NN3)I

InChI

InChI=1S/C13H11IN6O/c14-10-6-16-18-11(10)12(21)17-13-15-8-20(19-13)7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,16,18)(H,17,19,21)