2-[[4-[1-(phenylmethyl)pyrazol-4-yl]phenoxy]methyl]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[[4-[1-(phenylmethyl)pyrazol-4-yl]phenoxy]methyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[[4-(1-benzylpyrazol-4-yl)phenoxy]methyl]thiazole-4-carboxylic acid CAS Name: 2-[[4-[1-(phenylmethyl)-4-pyrazolyl]phenoxy]methyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[[4-(1-benzylpyrazol-4-yl)phenoxy]methyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[[4-(1-benzylpyrazol-4-yl)phenoxy]methyl]thiazole-4-carboxylic acid Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C3=CC=C(C=C3)OCC4=NC(=CS4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)C3=CC=C(C=C3)OCC4=NC(=CS4)C(=O)O

InChI

InChI=1S/C21H17N3O3S/c25-21(26)19-14-28-20(23-19)13-27-18-8-6-16(7-9-18)17-10-22-24(12-17)11-15-4-2-1-3-5-15/h1-10,12,14H,11,13H2,(H,25,26)