3-phenyl-1-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]pyrazole-4-carboxylic acid

Systemtic Name: 3-phenyl-1-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]pyrazole-4-carboxylic acid Openeye Name: 3-phenyl-1-[[4-[(2-phenylthiazol-4-yl)methoxy]phenyl]methyl]pyrazole-4-carboxylic acid CAS Name: 3-phenyl-1-[[4-[(2-phenyl-4-thiazolyl)methoxy]phenyl]methyl]-4-pyrazolecarboxylic acid IUPAC Name: 3-phenyl-1-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]pyrazole-4-carboxylic acid Traditional Name: 3-phenyl-1-[4-[(2-phenylthiazol-4-yl)methoxy]benzyl]pyrazole-4-carboxylic acid Formula: C27H21N3O3S MolecularWeight: 467.53894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C(=O)O)CC3=CC=C(C=C3)OCC4=CSC(=N4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2C(=O)O)CC3=CC=C(C=C3)OCC4=CSC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C27H21N3O3S/c31-27(32)24-16-30(29-25(24)20-7-3-1-4-8-20)15-19-11-13-23(14-12-19)33-17-22-18-34-26(28-22)21-9-5-2-6-10-21/h1-14,16,18H,15,17H2,(H,31,32)