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

Systemtic Name: 4-bromanyl-1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-isothiocyanato-pyrazole Openeye Name: 4-bromo-1-[(2-chloro-6-fluoro-phenyl)methyl]-3-isothiocyanato-pyrazole CAS Name: 4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]-3-isothiocyanatopyrazole IUPAC Name: 4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]-3-isothiocyanatopyrazole Traditional Name: 4-bromo-1-(2-chloro-6-fluoro-benzyl)-3-isothiocyanato-pyrazole Formula: C11H6BrClFN3S MolecularWeight: 346.605843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)CN2C=C(C(=N2)N=C=S)Br)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)CN2C=C(C(=N2)N=C=S)Br)F

InChI

InChI=1S/C11H6BrClFN3S/c12-8-5-17(16-11(8)15-6-18)4-7-9(13)2-1-3-10(7)14/h1-3,5H,4H2