1-[(4-Chlorophenyl)methyl]-3-isothiocyanato-1H-pyrazole

CAS Registry Number®

588695-59-4
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CAS Name

1-[(4-Chlorophenyl)methyl]-3-isothiocyanato-1H-pyrazole

Molecular Formula

C11H8ClN3S

Molecular Mass

249.72

Cite this Page

1-[(4-Chlorophenyl)methyl]-3-isothiocyanato-1H-pyrazole.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=588695-59-4 (retrieved 2024-08-29) (CAS RN: 588695-59-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=MFSGNFGHKOLFFH-UHFFFAOYSA-N

SMILES

C(N1N=C(N=C=S)C=C1)C2=CC=C(Cl)C=C2

Canonical SMILES

S=C=NC1=NN(C=C1)CC2=CC=C(Cl)C=C2

Other Names for this Substance

  • 1H-Pyrazole, 1-[(4-chlorophenyl)methyl]-3-isothiocyanato-
  • 1-[(4-Chlorophenyl)methyl]-3-isothiocyanato-1H-pyrazole
  • 1-[(4-Chlorophenyl)methyl]-3-isothiocyanatopyrazole
  • 1-(4-Chlorobenzyl)-3-isothiocyanato-1H-pyrazole