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

Systemtic Name: 1-[(3-fluorophenyl)methyl]-3-isothiocyanato-pyrazole Openeye Name: 1-[(3-fluorophenyl)methyl]-3-isothiocyanato-pyrazole CAS Name: 1-[(3-fluorophenyl)methyl]-3-isothiocyanatopyrazole IUPAC Name: 1-[(3-fluorophenyl)methyl]-3-isothiocyanatopyrazole Traditional Name: 1-(3-fluorobenzyl)-3-isothiocyanato-pyrazole Formula: C11H8FN3S MolecularWeight: 233.264723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8FN3S/c12-10-3-1-2-9(6-10)7-15-5-4-11(14-15)13-8-16/h1-6H,7H2