1-[(4-bromophenyl)methyl]-4-chloranyl-3-isothiocyanato-pyrazole

Systemtic Name: 1-[(4-bromophenyl)methyl]-4-chloranyl-3-isothiocyanato-pyrazole Openeye Name: 1-[(4-bromophenyl)methyl]-4-chloro-3-isothiocyanato-pyrazole CAS Name: 1-[(4-bromophenyl)methyl]-4-chloro-3-isothiocyanatopyrazole IUPAC Name: 1-[(4-bromophenyl)methyl]-4-chloro-3-isothiocyanatopyrazole Traditional Name: 1-(4-bromobenzyl)-4-chloro-3-isothiocyanato-pyrazole Formula: C11H7BrClN3S MolecularWeight: 328.61538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H7BrClN3S/c12-9-3-1-8(2-4-9)5-16-6-10(13)11(15-16)14-7-17/h1-4,6H,5H2