5-[[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-3-isoxazolecarboxylic acid 2-[[(4-nitrophenyl)amino]thioxomethyl]hydrazide

CAS Registry Number®

338399-31-8
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CAS Name

5-[[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-3-isoxazolecarboxylic acid 2-[[(4-nitrophenyl)amino]thioxomethyl]hydrazide

Molecular Formula

C18H15ClF3N7O4S

Molecular Mass

517.87

Cite this Page

5-[[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-3-isoxazolecarboxylic acid 2-[[(4-nitrophenyl)amino]thioxomethyl]hydrazide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=338399-31-8 (retrieved 2024-08-25) (CAS RN: 338399-31-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H15ClF3N7O4S/c19-13-5-9(18(20,21)22)7-23-15(13)24-8-12-6-14(28-33-12)16(30)26-27-17(34)25-10-1-3-11(4-2-10)29(31)32/h1-5,7,12H,6,8H2,(H,23,24)(H,26,30)(H2,25,27,34)

InChIKey

InChIKey=TVJZIWZQEZQVJQ-UHFFFAOYSA-N

SMILES

C(NC1=C(Cl)C=C(C(F)(F)F)C=N1)C2CC(C(NNC(NC3=CC=C(N(=O)=O)C=C3)=S)=O)=NO2

Canonical SMILES

O=C(NNC(=S)NC1=CC=C(C=C1)N(=O)=O)C2=NOC(CNC3=NC=C(C=C3Cl)C(F)(F)F)C2

Other Names for this Substance

  • 3-Isoxazolecarboxylic acid, 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-, 2-[[(4-nitrophenyl)amino]thioxomethyl]hydrazide
  • 5-[[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-3-isoxazolecarboxylic acid 2-[[(4-nitrophenyl)amino]thioxomethyl]hydrazide