1-(3-isothiocyanatopropyl)-5-methyl-3-(trifluoromethyl)pyrazole

Systemtic Name: 1-(3-isothiocyanatopropyl)-5-methyl-3-(trifluoromethyl)pyrazole Openeye Name: 1-(3-isothiocyanatopropyl)-5-methyl-3-(trifluoromethyl)pyrazole CAS Name: 1-(3-isothiocyanatopropyl)-5-methyl-3-(trifluoromethyl)pyrazole IUPAC Name: 1-(3-isothiocyanatopropyl)-5-methyl-3-(trifluoromethyl)pyrazole Traditional Name: 1-(3-isothiocyanatopropyl)-5-methyl-3-(trifluoromethyl)pyrazole Formula: C9H10F3N3S MolecularWeight: 249.25601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCN=C=S)C(F)(F)F

Isomeric SMILES

CC1=CC(=NN1CCCN=C=S)C(F)(F)F

InChI

InChI=1S/C9H10F3N3S/c1-7-5-8(9(10,11)12)14-15(7)4-2-3-13-6-16/h5H,2-4H2,1H3