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

CAS Registry Number®

1004193-52-5
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CAS Name

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

Molecular Formula

C11H8ClN3S

Molecular Mass

249.72

Cite this Page

1-[(4-Chlorophenyl)methyl]-4-isothiocyanato-1H-pyrazole.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1004193-52-5 (retrieved 2024-08-26) (CAS RN: 1004193-52-5).  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)6-15-7-11(5-14-15)13-8-16/h1-5,7H,6H2

InChIKey

InChIKey=NANPICMJAIPQIY-UHFFFAOYSA-N

SMILES

C(N1C=C(N=C=S)C=N1)C2=CC=C(Cl)C=C2

Canonical SMILES

S=C=NC=1C=NN(C1)CC2=CC=C(Cl)C=C2

Other Names for this Substance

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