1-[(3-Chlorophenyl)methyl]-4-isothiocyanato-3,5-dimethyl-1H-pyrazole

CAS Registry Number®

1004644-12-5
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CAS Name

1-[(3-Chlorophenyl)methyl]-4-isothiocyanato-3,5-dimethyl-1H-pyrazole

Molecular Formula

C13H12ClN3S

Molecular Mass

277.77

Cite this Page

1-[(3-Chlorophenyl)methyl]-4-isothiocyanato-3,5-dimethyl-1H-pyrazole.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1004644-12-5 (retrieved 2024-08-25) (CAS RN: 1004644-12-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H12ClN3S/c1-9-13(15-8-18)10(2)17(16-9)7-11-4-3-5-12(14)6-11/h3-6H,7H2,1-2H3

InChIKey

InChIKey=ZSIUNILRJSJCBF-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

S=C=NC=1C(=NN(C1C)CC=2C=CC=C(Cl)C2)C

Other Names for this Substance

  • 1H-Pyrazole, 1-[(3-chlorophenyl)methyl]-4-isothiocyanato-3,5-dimethyl-
  • 1-[(3-Chlorophenyl)methyl]-4-isothiocyanato-3,5-dimethyl-1H-pyrazole