1-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]-5-thiophen-2-yl-pyrazole-3-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]-5-thiophen-2-yl-pyrazole-3-carboxylic acid Openeye Name: 1-[(2-benzyloxy-5-bromo-phenyl)methyl]-5-(2-thienyl)pyrazole-3-carboxylic acid CAS Name: 1-[(5-bromo-2-phenylmethoxyphenyl)methyl]-5-thiophen-2-yl-3-pyrazolecarboxylic acid IUPAC Name: 1-[(5-bromo-2-phenylmethoxyphenyl)methyl]-5-thiophen-2-ylpyrazole-3-carboxylic acid Traditional Name: 1-(2-benzoxy-5-bromo-benzyl)-5-(2-thienyl)pyrazole-3-carboxylic acid Formula: C22H17BrN2O3S MolecularWeight: 469.35098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)CN3C(=CC(=N3)C(=O)O)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)CN3C(=CC(=N3)C(=O)O)C4=CC=CS4

InChI

InChI=1S/C22H17BrN2O3S/c23-17-8-9-20(28-14-15-5-2-1-3-6-15)16(11-17)13-25-19(21-7-4-10-29-21)12-18(24-25)22(26)27/h1-12H,13-14H2,(H,26,27)