1-[(3-chlorophenyl)methyl]-4-isothiocyanato-pyrazole

Systemtic Name: 1-[(3-chlorophenyl)methyl]-4-isothiocyanato-pyrazole Openeye Name: 1-[(3-chlorophenyl)methyl]-4-isothiocyanato-pyrazole CAS Name: 1-[(3-chlorophenyl)methyl]-4-isothiocyanatopyrazole IUPAC Name: 1-[(3-chlorophenyl)methyl]-4-isothiocyanatopyrazole Traditional Name: 1-(3-chlorobenzyl)-4-isothiocyanato-pyrazole Formula: C11H8ClN3S MolecularWeight: 249.71932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8ClN3S/c12-10-3-1-2-9(4-10)6-15-7-11(5-14-15)13-8-16/h1-5,7H,6H2