1-[4-(3-methylphenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-[4-(3-methylphenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid Openeye Name: 1-[4-(m-tolyl)thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid CAS Name: 1-[4-(3-methylphenyl)-2-thiazolyl]-5-(trifluoromethyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-[4-(3-methylphenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid Traditional Name: 1-[4-(m-tolyl)thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid Formula: C15H10F3N3O2S MolecularWeight: 353.31901

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CSC(=N2)N3C(=C(C=N3)C(=O)O)C(F)(F)F

Isomeric SMILES

CC1=CC=CC(=C1)C2=CSC(=N2)N3C(=C(C=N3)C(=O)O)C(F)(F)F

InChI

InChI=1S/C15H10F3N3O2S/c1-8-3-2-4-9(5-8)11-7-24-14(20-11)21-12(15(16,17)18)10(6-19-21)13(22)23/h2-7H,1H3,(H,22,23)