1-[(2-chlorophenyl)methyl]-3-isothiocyanato-pyrazole

Systemtic Name: 1-[(2-chlorophenyl)methyl]-3-isothiocyanato-pyrazole Openeye Name: 1-[(2-chlorophenyl)methyl]-3-isothiocyanato-pyrazole CAS Name: 1-[(2-chlorophenyl)methyl]-3-isothiocyanatopyrazole IUPAC Name: 1-[(2-chlorophenyl)methyl]-3-isothiocyanatopyrazole Traditional Name: 1-(2-chlorobenzyl)-3-isothiocyanato-pyrazole Formula: C11H8ClN3S MolecularWeight: 249.71932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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