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

Systemtic Name: (4-iodophenyl)methyl 2-(3,5-diphenylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: (4-iodophenyl)methyl 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)methyl ester IUPAC Name: (4-iodophenyl)methyl 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-iodobenzyl) ester Formula: C27H20IN3O2S MolecularWeight: 577.43607

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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)OCC5=CC=C(C=C5)I

Isomeric SMILES

CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC5=CC=C(C=C5)I

InChI

InChI=1S/C27H20IN3O2S/c1-18-25(26(32)33-17-19-12-14-22(28)15-13-19)34-27(29-18)31-24(21-10-6-3-7-11-21)16-23(30-31)20-8-4-2-5-9-20/h2-16H,17H2,1H3