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3-(benzylsulfanyl)-4-phenyl-4H-1,2,4-triazole

View entire compound with spectra: 1 MS (GC)

3-(benzylsulfanyl)-4-phenyl-4H-1,2,4-triazole
SpectraBase Compound ID HTjCKdlHeev
InChI InChI=1S/C15H13N3S/c1-3-7-13(8-4-1)11-19-15-17-16-12-18(15)14-9-5-2-6-10-14/h1-10,12H,11H2
InChIKey IGYQIJQOFOGLLV-UHFFFAOYSA-N
Mol Weight 267.35 g/mol
Molecular Formula C15H13N3S
Exact Mass 267.083019 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8MyXaBi8eyV
Name 3-(benzylsulfanyl)-4-phenyl-4H-1,2,4-triazole
Alternate Name(s) 3-(benzylthio)-4-phenyl-1,2,4-triazole 3-Benzylsulfanyl-4-phenyl-1,2,4-triazole 4-Phenyl-3-(phenylmethylsulfanyl)-1,2,4-triazole 4-Phenyl-3-(phenylmethylthio)-1,2,4-triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13N3S
InChI InChI=1S/C15H13N3S/c1-3-7-13(8-4-1)11-19-15-17-16-12-18(15)14-9-5-2-6-10-14/h1-10,12H,11H2
InChIKey IGYQIJQOFOGLLV-UHFFFAOYSA-N
Molecular Weight 267.350 g/mol
SMILES c1ccc(CSc2[n](cnn2)-c2ccccc2)cc1
SPLASH splash10-00kf-9420000000-619e24188e31e1afdef5
Wiley ID 1466560