2-[4-methyl-5-(2-methylphenyl)-3-phenyl-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[4-methyl-5-(2-methylphenyl)-3-phenyl-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[4-methyl-5-(o-tolyl)-3-phenyl-pyrazol-1-yl]thiazole-4-carboxylic acid CAS Name: 2-[4-methyl-5-(2-methylphenyl)-3-phenyl-1-pyrazolyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[4-methyl-5-(2-methylphenyl)-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[4-methyl-5-(o-tolyl)-3-phenyl-pyrazol-1-yl]thiazole-4-carboxylic acid Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C(=NN2C3=NC(=CS3)C(=O)O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=CC=C1C2=C(C(=NN2C3=NC(=CS3)C(=O)O)C4=CC=CC=C4)C

InChI

InChI=1S/C21H17N3O2S/c1-13-8-6-7-11-16(13)19-14(2)18(15-9-4-3-5-10-15)23-24(19)21-22-17(12-27-21)20(25)26/h3-12H,1-2H3,(H,25,26)