5-isothiocyanato-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole

Systemtic Name: 5-isothiocyanato-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole Openeye Name: 5-isothiocyanato-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole CAS Name: 5-isothiocyanato-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole IUPAC Name: 5-isothiocyanato-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole Traditional Name: 3-isothiocyanato-1-[3-(trifluoromethyl)phenyl]-2-pyrazoline Formula: C11H8F3N3S MolecularWeight: 271.26153

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1N=C=S)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

C1CN(N=C1N=C=S)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C11H8F3N3S/c12-11(13,14)8-2-1-3-9(6-8)17-5-4-10(16-17)15-7-18/h1-3,6H,4-5H2