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1-[5-(3-Anilinopropylthio)-3-phenyl-1H-pyrazol-4-yl]-1,2,4-triazole
SpectraBase Compound ID CpEzjfkyWyt
InChI InChI=1S/C20H20N6S/c1-3-8-16(9-4-1)18-19(26-15-21-14-23-26)20(25-24-18)27-13-7-12-22-17-10-5-2-6-11-17/h1-6,8-11,14-15,22H,7,12-13H2,(H,24,25)
InChIKey KAEIRAVBQIDWKH-UHFFFAOYSA-N
Mol Weight 376.48 g/mol
Molecular Formula C20H20N6S
Exact Mass 376.147016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JrCRHrapsGj
Name 1-[5-(3-Anilinopropylthio)-3-phenyl-1H-pyrazol-4-yl]-1,2,4-triazole
Alternate Name(s) N-(3-{[3-phenyl-4-(1H-1,2,4-triazol-1-yl)-1H-pyrazol-5-yl]sulfanyl}propyl)aniline N-phenyl-N-(3-{[3-phenyl-4-(1H-1,2,4-triazol-1-yl)-1H-pyrazol-5-yl]sulfanyl}propyl)amine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20N6S
InChI InChI=1S/C20H20N6S/c1-3-8-16(9-4-1)18-19(26-15-21-14-23-26)20(25-24-18)27-13-7-12-22-17-10-5-2-6-11-17/h1-6,8-11,14-15,22H,7,12-13H2,(H,24,25)
InChIKey KAEIRAVBQIDWKH-UHFFFAOYSA-N
Molecular Weight 376.482 g/mol
SMILES [nH]1nc(c(c1SCCCNc1ccccc1)-[n]1ncnc1)-c1ccccc1
SPLASH splash10-0a4i-0921000000-627e73ef2b6abfc51f69
Source of Spectrum H1-41-1657-6
Wiley ID 757321