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

View entire compound with spectra: 1 MS (GC)

5-[1'-(4"-Chlorophenyl)-1',4'-dihydro-6'-methyl-4'-oxopyridazin-3'-yl]-2-[(2'"-fluorophenyl)amino]-1,2,4-triazole-3-thiol
SpectraBase Compound ID 8JyCP4Xh9qT
InChI InChI=1S/C19H13ClFN5OS/c1-11-10-16(27)17(23-25(11)13-8-6-12(20)7-9-13)18-22-19(28)26(24-18)15-5-3-2-4-14(15)21/h2-10H,1H3,(H,22,24,28)
InChIKey DHPOQQPNJUDWJS-UHFFFAOYSA-N
Mol Weight 413.86 g/mol
Molecular Formula C19H13ClFN5OS
Exact Mass 413.051337 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ebQexOK9XR
Name 5-[1'-(4"-Chlorophenyl)-1',4'-dihydro-6'-methyl-4'-oxopyridazin-3'-yl]-2-[(2'"-fluorophenyl)amino]-1,2,4-triazole-3-thiol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H13ClFN5OS
InChI InChI=1S/C19H13ClFN5OS/c1-11-10-16(27)17(23-25(11)13-8-6-12(20)7-9-13)18-22-19(28)26(24-18)15-5-3-2-4-14(15)21/h2-10H,1H3,(H,22,24,28)
InChIKey DHPOQQPNJUDWJS-UHFFFAOYSA-N
Molecular Weight 413.858 g/mol
SMILES Sc1nc(C2=NN(c3ccc(cc3)Cl)C(=CC2=O)C)n[n]1-c1c(F)cccc1
SPLASH splash10-0imi-3911200000-7051888af467d29e9007
Source of Spectrum Y-38-995-5a
Synonyms 5-[1'-(4''-Chlorophenyl)-1',4'-dihydro-6'-methyl-4'-oxopyridazin-3'-yl]-2-[(2'''-fluorophenyl)amino]-1,2,4-triazole-3-thiol
Wiley ID 848573