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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)Cl)CN2C=C(C(=N2)N=C=S)Br

Isomeric SMILES

C1=CC(=C(C=C1F)Cl)CN2C=C(C(=N2)N=C=S)Br

InChI

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