(4-iodophenyl) 2-(3,5-diphenylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: (4-iodophenyl) 2-(3,5-diphenylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: (4-iodophenyl) 2-(3,5-diphenylpyrazol-1-yl)-4-methyl-thiazole-5-carboxylate CAS Name: 2-(3,5-diphenyl-1-pyrazolyl)-4-methyl-5-thiazolecarboxylic acid (4-iodophenyl) ester IUPAC Name: (4-iodophenyl) 2-(3,5-diphenylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-(3,5-diphenylpyrazol-1-yl)-4-methyl-thiazole-5-carboxylic acid (4-iodophenyl) ester Formula: C26H18IN3O2S MolecularWeight: 563.40949

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC5=CC=C(C=C5)I

Isomeric SMILES

CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC5=CC=C(C=C5)I

InChI

InChI=1S/C26H18IN3O2S/c1-17-24(25(31)32-21-14-12-20(27)13-15-21)33-26(28-17)30-23(19-10-6-3-7-11-19)16-22(29-30)18-8-4-2-5-9-18/h2-16H,1H3