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

Systemtic Name: 4-iodanyl-1-methyl-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]pyrazole-3-carboxamide Openeye Name: N-(1-benzyl-1,2,4-triazol-3-yl)-4-iodo-1-methyl-pyrazole-3-carboxamide CAS Name: 4-iodo-1-methyl-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]-3-pyrazolecarboxamide IUPAC Name: N-(1-benzyl-1,2,4-triazol-3-yl)-4-iodo-1-methylpyrazole-3-carboxamide Traditional Name: N-(1-benzyl-1,2,4-triazol-3-yl)-4-iodo-1-methyl-pyrazole-3-carboxamide Formula: C14H13IN6O MolecularWeight: 408.19709

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13IN6O/c1-20-8-11(15)12(18-20)13(22)17-14-16-9-21(19-14)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,17,19,22)