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

Systemtic Name: 4-iodanyl-1-methyl-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazole-3-carboxamide Openeye Name: 4-iodo-1-methyl-N-[1-(p-tolylmethyl)-1,2,4-triazol-3-yl]pyrazole-3-carboxamide CAS Name: 4-iodo-1-methyl-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-pyrazolecarboxamide IUPAC Name: 4-iodo-1-methyl-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazole-3-carboxamide Traditional Name: 4-iodo-1-methyl-N-[1-(4-methylbenzyl)-1,2,4-triazol-3-yl]pyrazole-3-carboxamide Formula: C15H15IN6O MolecularWeight: 422.22367

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=NC(=N2)NC(=O)C3=NN(C=C3I)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=NC(=N2)NC(=O)C3=NN(C=C3I)C

InChI

InChI=1S/C15H15IN6O/c1-10-3-5-11(6-4-10)7-22-9-17-15(20-22)18-14(23)13-12(16)8-21(2)19-13/h3-6,8-9H,7H2,1-2H3,(H,18,20,23)