N-[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-1,2,4-triazol-3-yl]-4-iodanyl-1H-pyrazole-5-carboxamide

Systemtic Name: N-[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-1,2,4-triazol-3-yl]-4-iodanyl-1H-pyrazole-5-carboxamide Openeye Name: N-[1-[(2-chloro-4-fluoro-phenyl)methyl]-1,2,4-triazol-3-yl]-4-iodo-1H-pyrazole-5-carboxamide CAS Name: N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-4-iodo-1H-pyrazole-5-carboxamide IUPAC Name: N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-4-iodo-1H-pyrazole-5-carboxamide Traditional Name: N-[1-(2-chloro-4-fluoro-benzyl)-1,2,4-triazol-3-yl]-4-iodo-1H-pyrazole-5-carboxamide Formula: C13H9ClFIN6O MolecularWeight: 446.606033

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)Cl)CN2C=NC(=N2)NC(=O)C3=C(C=NN3)I

Isomeric SMILES

C1=CC(=C(C=C1F)Cl)CN2C=NC(=N2)NC(=O)C3=C(C=NN3)I

InChI

InChI=1S/C13H9ClFIN6O/c14-9-3-8(15)2-1-7(9)5-22-6-17-13(21-22)19-12(23)11-10(16)4-18-20-11/h1-4,6H,5H2,(H,18,20)(H,19,21,23)