N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-iodanyl-1-methyl-pyrazole-3-carboxamide

Systemtic Name: N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-iodanyl-1-methyl-pyrazole-3-carboxamide Openeye Name: N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-iodo-1-methyl-pyrazole-3-carboxamide CAS Name: N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-iodo-1-methyl-3-pyrazolecarboxamide IUPAC Name: N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-iodo-1-methylpyrazole-3-carboxamide Traditional Name: N-[1-(3-chlorobenzyl)-1,2,4-triazol-3-yl]-4-iodo-1-methyl-pyrazole-3-carboxamide Formula: C14H12ClIN6O MolecularWeight: 442.64215

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NC2=NN(C=N2)CC3=CC(=CC=C3)Cl)I

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NC2=NN(C=N2)CC3=CC(=CC=C3)Cl)I

InChI

InChI=1S/C14H12ClIN6O/c1-21-7-11(16)12(19-21)13(23)18-14-17-8-22(20-14)6-9-3-2-4-10(15)5-9/h2-5,7-8H,6H2,1H3,(H,18,20,23)