5-tert-butyl-N-[2-(4-iodophenyl)-5-thiophen-2-yl-pyrazol-3-yl]-2-(phenylmethyl)pyrazole-3-carboxamide

Systemtic Name: 5-tert-butyl-N-[2-(4-iodophenyl)-5-thiophen-2-yl-pyrazol-3-yl]-2-(phenylmethyl)pyrazole-3-carboxamide Openeye Name: 2-benzyl-5-tert-butyl-N-[2-(4-iodophenyl)-5-(2-thienyl)pyrazol-3-yl]pyrazole-3-carboxamide CAS Name: 5-tert-butyl-N-[2-(4-iodophenyl)-5-thiophen-2-yl-3-pyrazolyl]-2-(phenylmethyl)-3-pyrazolecarboxamide IUPAC Name: 2-benzyl-5-tert-butyl-N-[2-(4-iodophenyl)-5-thiophen-2-ylpyrazol-3-yl]pyrazole-3-carboxamide Traditional Name: 2-benzyl-5-tert-butyl-N-[2-(4-iodophenyl)-5-(2-thienyl)pyrazol-3-yl]pyrazole-3-carboxamide Formula: C28H26IN5OS MolecularWeight: 607.50841

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)NC2=CC(=NN2C3=CC=C(C=C3)I)C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)NC2=CC(=NN2C3=CC=C(C=C3)I)C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C28H26IN5OS/c1-28(2,3)25-17-23(33(32-25)18-19-8-5-4-6-9-19)27(35)30-26-16-22(24-10-7-15-36-24)31-34(26)21-13-11-20(29)12-14-21/h4-17H,18H2,1-3H3,(H,30,35)