1-methyl-5-[2-(4-methylpentan-2-yl)thiophen-3-yl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-methyl-5-[2-(4-methylpentan-2-yl)thiophen-3-yl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid Openeye Name: 5-[2-(1,3-dimethylbutyl)-3-thienyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid CAS Name: 1-methyl-5-[2-(4-methylpentan-2-yl)-3-thiophenyl]-3-(trifluoromethyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-methyl-5-[2-(4-methylpentan-2-yl)thiophen-3-yl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid Traditional Name: 5-[2-(1,3-dimethylbutyl)-3-thienyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid Formula: C16H19F3N2O2S MolecularWeight: 360.39447

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)C1=C(C=CS1)C2=C(C(=NN2C)C(F)(F)F)C(=O)O

Isomeric SMILES

CC(C)CC(C)C1=C(C=CS1)C2=C(C(=NN2C)C(F)(F)F)C(=O)O

InChI

InChI=1S/C16H19F3N2O2S/c1-8(2)7-9(3)13-10(5-6-24-13)12-11(15(22)23)14(16(17,18)19)20-21(12)4/h5-6,8-9H,7H2,1-4H3,(H,22,23)