1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-4-isothiocyanato-3,5-dimethyl-pyrazole

Systemtic Name: 1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-4-isothiocyanato-3,5-dimethyl-pyrazole Openeye Name: 1-[(2-chloro-4-fluoro-phenyl)methyl]-4-isothiocyanato-3,5-dimethyl-pyrazole CAS Name: 1-[(2-chloro-4-fluorophenyl)methyl]-4-isothiocyanato-3,5-dimethylpyrazole IUPAC Name: 1-[(2-chloro-4-fluorophenyl)methyl]-4-isothiocyanato-3,5-dimethylpyrazole Traditional Name: 1-(2-chloro-4-fluoro-benzyl)-4-isothiocyanato-3,5-dimethyl-pyrazole Formula: C13H11ClFN3S MolecularWeight: 295.762943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=C(C=C(C=C2)F)Cl)C)N=C=S

Isomeric SMILES

CC1=C(C(=NN1CC2=C(C=C(C=C2)F)Cl)C)N=C=S

InChI

InChI=1S/C13H11ClFN3S/c1-8-13(16-7-19)9(2)18(17-8)6-10-3-4-11(15)5-12(10)14/h3-5H,6H2,1-2H3