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4H-[1,2,4]Triazole-3-thiol, 5-(5-cyclopropyl-2H-pyrazol-3-yl)-4-(2,5-dimethoxyphenyl)-
SpectraBase Compound ID 5LGFNU41Ura
InChI InChI=1S/C16H17N5O2S/c1-22-10-5-6-14(23-2)13(7-10)21-15(19-20-16(21)24)12-8-11(17-18-12)9-3-4-9/h5-9H,3-4H2,1-2H3,(H,17,18)(H,20,24)
InChIKey MHTRBVRAVZJZDR-UHFFFAOYSA-N
Mol Weight 343.41 g/mol
Molecular Formula C16H17N5O2S
Exact Mass 343.110296 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID oawmVB69UW
Name 4H-[1,2,4]Triazole-3-thiol, 5-(5-cyclopropyl-2H-pyrazol-3-yl)-4-(2,5-dimethoxyphenyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17N5O2S
InChI InChI=1S/C16H17N5O2S/c1-22-10-5-6-14(23-2)13(7-10)21-15(19-20-16(21)24)12-8-11(17-18-12)9-3-4-9/h5-9H,3-4H2,1-2H3,(H,17,18)(H,20,24)
InChIKey MHTRBVRAVZJZDR-UHFFFAOYSA-N
Molecular Weight 343.405 g/mol
SMILES [nH]1nc(cc1-c1[n](c(nn1)S)-c1cc(OC)ccc1OC)C1CC1
SPLASH splash10-03fu-9704000000-4c22c72d27a6b54bd156
Synonyms 3-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(2,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione 5-(3-Cyclopropyl-1H-pyrazol-5-yl)-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Wiley ID 1441286