4-bromanyl-1-[(4-fluorophenyl)methyl]-3-isothiocyanato-pyrazole

Systemtic Name: 4-bromanyl-1-[(4-fluorophenyl)methyl]-3-isothiocyanato-pyrazole Openeye Name: 4-bromo-1-[(4-fluorophenyl)methyl]-3-isothiocyanato-pyrazole CAS Name: 4-bromo-1-[(4-fluorophenyl)methyl]-3-isothiocyanatopyrazole IUPAC Name: 4-bromo-1-[(4-fluorophenyl)methyl]-3-isothiocyanatopyrazole Traditional Name: 4-bromo-1-(4-fluorobenzyl)-3-isothiocyanato-pyrazole Formula: C11H7BrFN3S MolecularWeight: 312.160783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=C(C(=N2)N=C=S)Br)F

Isomeric SMILES

C1=CC(=CC=C1CN2C=C(C(=N2)N=C=S)Br)F

InChI

InChI=1S/C11H7BrFN3S/c12-10-6-16(15-11(10)14-7-17)5-8-1-3-9(13)4-2-8/h1-4,6H,5H2