3-(2-methylpropyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazole-1-carbothioamide

Systemtic Name: 3-(2-methylpropyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazole-1-carbothioamide Openeye Name: 5-hydroxy-3-isobutyl-5-(trifluoromethyl)-4H-pyrazole-1-carbothioamide CAS Name: 5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazole-1-carbothioamide IUPAC Name: 5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazole-1-carbothioamide Traditional Name: 5-hydroxy-3-isobutyl-5-(trifluoromethyl)-2-pyrazoline-1-carbothioamide Formula: C9H14F3N3OS MolecularWeight: 269.28717

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN(C(C1)(C(F)(F)F)O)C(=S)N

Isomeric SMILES

CC(C)CC1=NN(C(C1)(C(F)(F)F)O)C(=S)N

InChI

InChI=1S/C9H14F3N3OS/c1-5(2)3-6-4-8(16,9(10,11)12)15(14-6)7(13)17/h5,16H,3-4H2,1-2H3,(H2,13,17)