For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

5-[1'-(2"-Chlorophenyl)-1',4'-dihydro-6'-methyl-4'-oxopyridazin-3'-yl]-4-[3'"-(trifluoromethyl)phenyl]-1,2,4-triazole-3-thiol

View entire compound with spectra: 1 MS (GC)

5-[1'-(2"-Chlorophenyl)-1',4'-dihydro-6'-methyl-4'-oxopyridazin-3'-yl]-4-[3'"-(trifluoromethyl)phenyl]-1,2,4-triazole-3-thiol
SpectraBase Compound ID F9PIlGlRMLw
InChI InChI=1S/C20H13ClF3N5OS/c1-11-9-16(30)17(27-29(11)15-8-3-2-7-14(15)21)18-25-26-19(31)28(18)13-6-4-5-12(10-13)20(22,23)24/h2-10H,1H3,(H,26,31)
InChIKey WFZTXDPUBACVFA-UHFFFAOYSA-N
Mol Weight 463.87 g/mol
Molecular Formula C20H13ClF3N5OS
Exact Mass 463.048143 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Jo2NSi3whPi
Name 5-[1'-(2"-Chlorophenyl)-1',4'-dihydro-6'-methyl-4'-oxopyridazin-3'-yl]-4-[3'"-(trifluoromethyl)phenyl]-1,2,4-triazole-3-thiol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H13ClF3N5OS
InChI InChI=1S/C20H13ClF3N5OS/c1-11-9-16(30)17(27-29(11)15-8-3-2-7-14(15)21)18-25-26-19(31)28(18)13-6-4-5-12(10-13)20(22,23)24/h2-10H,1H3,(H,26,31)
InChIKey WFZTXDPUBACVFA-UHFFFAOYSA-N
Molecular Weight 463.866 g/mol
SMILES Sc1[n](c(C2=NN(c3c(Cl)cccc3)C(=CC2=O)C)nn1)-c1cc(C(F)(F)F)ccc1
SPLASH splash10-0imj-1920400000-b13d55b40a1af644a12a
Source of Spectrum Y-38-995-5c
Synonyms 5-[1'-(2''-Chlorophenyl)-1',4'-dihydro-6'-methyl-4'-oxopyridazin-3'-yl]-4-[3'''-(trifluoromethyl)phenyl]-1,2,4-triazole-3-thiol
Wiley ID 848572