5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-(phenylmethyl)pyrazole-3-carboxylic acid

Systemtic Name: 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-(phenylmethyl)pyrazole-3-carboxylic acid Openeye Name: 5-(2-benzamido-4-methyl-thiazol-5-yl)-1-benzyl-pyrazole-3-carboxylic acid CAS Name: 5-(2-benzamido-4-methyl-5-thiazolyl)-1-(phenylmethyl)-3-pyrazolecarboxylic acid IUPAC Name: 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-benzylpyrazole-3-carboxylic acid Traditional Name: 5-(2-benzamido-4-methyl-thiazol-5-yl)-1-benzyl-pyrazole-3-carboxylic acid Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC=CC=C2)C3=CC(=NN3CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC=CC=C2)C3=CC(=NN3CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C22H18N4O3S/c1-14-19(30-22(23-14)24-20(27)16-10-6-3-7-11-16)18-12-17(21(28)29)25-26(18)13-15-8-4-2-5-9-15/h2-12H,13H2,1H3,(H,28,29)(H,23,24,27)