1-[(2-fluorophenyl)methyl]-4-isothiocyanato-3,5-dimethyl-pyrazole

Systemtic Name: 1-[(2-fluorophenyl)methyl]-4-isothiocyanato-3,5-dimethyl-pyrazole Openeye Name: 1-[(2-fluorophenyl)methyl]-4-isothiocyanato-3,5-dimethyl-pyrazole CAS Name: 1-[(2-fluorophenyl)methyl]-4-isothiocyanato-3,5-dimethylpyrazole IUPAC Name: 1-[(2-fluorophenyl)methyl]-4-isothiocyanato-3,5-dimethylpyrazole Traditional Name: 1-(2-fluorobenzyl)-4-isothiocyanato-3,5-dimethyl-pyrazole Formula: C13H12FN3S MolecularWeight: 261.317883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2F)C)N=C=S

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2F)C)N=C=S

InChI

InChI=1S/C13H12FN3S/c1-9-13(15-8-18)10(2)17(16-9)7-11-5-3-4-6-12(11)14/h3-6H,7H2,1-2H3