1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-isothiocyanato-5-methyl-pyrazole

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-isothiocyanato-5-methyl-pyrazole Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-3-isothiocyanato-5-methyl-pyrazole CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-3-isothiocyanato-5-methylpyrazole IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-3-isothiocyanato-5-methylpyrazole Traditional Name: 1-(2-chloro-6-fluoro-benzyl)-3-isothiocyanato-5-methyl-pyrazole Formula: C12H9ClFN3S MolecularWeight: 281.736363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=C(C=CC=C2Cl)F)N=C=S

Isomeric SMILES

CC1=CC(=NN1CC2=C(C=CC=C2Cl)F)N=C=S

InChI

InChI=1S/C12H9ClFN3S/c1-8-5-12(15-7-18)16-17(8)6-9-10(13)3-2-4-11(9)14/h2-5H,6H2,1H3