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3H-1,2,4-Triazole-3-thione, 5-[[[(2-chlorophenyl)methyl]thio]methyl]-2,4-dihydro-4-phenyl-2-(9H-xanthen-9-yl)-
SpectraBase Compound ID BhM7SIzK4uz
InChI InChI=1S/C29H22ClN3OS2/c30-24-15-7-4-10-20(24)18-36-19-27-31-33(29(35)32(27)21-11-2-1-3-12-21)28-22-13-5-8-16-25(22)34-26-17-9-6-14-23(26)28/h1-17,28H,18-19H2
InChIKey JBXYIPOXJNPANO-UHFFFAOYSA-N
Mol Weight 528.09 g/mol
Molecular Formula C29H22ClN3OS2
Exact Mass 527.089282 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KLXD0CuirUz
Name 3H-1,2,4-Triazole-3-thione, 5-[[[(2-chlorophenyl)methyl]thio]methyl]-2,4-dihydro-4-phenyl-2-(9H-xanthen-9-yl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H22ClN3OS2
InChI InChI=1S/C29H22ClN3OS2/c30-24-15-7-4-10-20(24)18-36-19-27-31-33(29(35)32(27)21-11-2-1-3-12-21)28-22-13-5-8-16-25(22)34-26-17-9-6-14-23(26)28/h1-17,28H,18-19H2
InChIKey JBXYIPOXJNPANO-UHFFFAOYSA-N
Molecular Weight 528.088 g/mol
SMILES c1ccccc1N1C(=NN(C2c3c(Oc4ccccc24)cccc3)C1=S)CSCc1ccccc1Cl
SPLASH splash10-001i-2900000000-c458fe73a2d6093db1de
Source of Spectrum IY-1-4627-5
Synonyms 5-[[(2-chlorophenyl)methylthio]methyl]-4-phenyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione 5-[(2-chlorophenyl)methylsulfanylmethyl]-4-phenyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione
Wiley ID 1654258