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pyridine, 2-[[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-5-nitro-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

pyridine, 2-[[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-5-nitro-
SpectraBase Compound ID DLUBAlLuxfd
InChI InChI=1S/C19H12ClN5O2S/c20-14-8-6-13(7-9-14)18-22-23-19(24(18)15-4-2-1-3-5-15)28-17-11-10-16(12-21-17)25(26)27/h1-12H
InChIKey FJKJMJANKNCURA-UHFFFAOYSA-N
Mol Weight 409.85 g/mol
Molecular Formula C19H12ClN5O2S
Exact Mass 409.040024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 593mYej9mrE
Name 2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyridine
Alternate Name(s) 2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-5-nitro-pyridine 2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-5-nitropyridine
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Formula C19H12ClN5O2S
InChI InChI=1S/C19H12ClN5O2S/c20-14-8-6-13(7-9-14)18-22-23-19(24(18)15-4-2-1-3-5-15)28-17-11-10-16(12-21-17)25(26)27/h1-12H
InChIKey FJKJMJANKNCURA-UHFFFAOYSA-N
Molecular Weight 409.851 g/mol
SMILES c1([n](c(-c2ccc(cc2)Cl)nn1)-c1ccccc1)Sc1ncc(N(=O)=O)cc1
SPLASH splash10-05r0-9540200000-1270b8f3cb01c25065b4
Wiley ID 1461132