1-(2-isothiocyanatoethyl)-5-methyl-3-(trifluoromethyl)pyrazole

Systemtic Name: 1-(2-isothiocyanatoethyl)-5-methyl-3-(trifluoromethyl)pyrazole Openeye Name: 1-(2-isothiocyanatoethyl)-5-methyl-3-(trifluoromethyl)pyrazole CAS Name: 1-(2-isothiocyanatoethyl)-5-methyl-3-(trifluoromethyl)pyrazole IUPAC Name: 1-(2-isothiocyanatoethyl)-5-methyl-3-(trifluoromethyl)pyrazole Traditional Name: 1-(2-isothiocyanatoethyl)-5-methyl-3-(trifluoromethyl)pyrazole Formula: C8H8F3N3S MolecularWeight: 235.22943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCN=C=S)C(F)(F)F

Isomeric SMILES

CC1=CC(=NN1CCN=C=S)C(F)(F)F

InChI

InChI=1S/C8H8F3N3S/c1-6-4-7(8(9,10)11)13-14(6)3-2-12-5-15/h4H,2-3H2,1H3