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1-[5-(3-Anilinopropylthio)-3-p-methoxyphenyl-1H-pyrazol-4-yl]-1,2,4-triazole
SpectraBase Compound ID 5Qs67vrKciU
InChI InChI=1S/C21H22N6OS/c1-28-18-10-8-16(9-11-18)19-20(27-15-22-14-24-27)21(26-25-19)29-13-5-12-23-17-6-3-2-4-7-17/h2-4,6-11,14-15,23H,5,12-13H2,1H3,(H,25,26)
InChIKey VXSVLAUKOAWJDL-UHFFFAOYSA-N
Mol Weight 406.51 g/mol
Molecular Formula C21H22N6OS
Exact Mass 406.157581 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7NIwotBVGoK
Name 1-[5-(3-Anilinopropylthio)-3-p-methoxyphenyl-1H-pyrazol-4-yl]-1,2,4-triazole
Alternate Name(s) N-(3-{[3-(4-methoxyphenyl)-4-(1H-1,2,4-triazol-1-yl)-1H-pyrazol-5-yl]sulfanyl}propyl)-N-phenylamine N-(3-{[3-(4-methoxyphenyl)-4-(1H-1,2,4-triazol-1-yl)-1H-pyrazol-5-yl]sulfanyl}propyl)aniline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N6OS
InChI InChI=1S/C21H22N6OS/c1-28-18-10-8-16(9-11-18)19-20(27-15-22-14-24-27)21(26-25-19)29-13-5-12-23-17-6-3-2-4-7-17/h2-4,6-11,14-15,23H,5,12-13H2,1H3,(H,25,26)
InChIKey VXSVLAUKOAWJDL-UHFFFAOYSA-N
Molecular Weight 406.508 g/mol
SMILES [nH]1nc(c(c1SCCCNc1ccccc1)-[n]1ncnc1)-c1ccc(cc1)OC
SPLASH splash10-0a4i-1920000000-316f9ad6c8422355dccd
Source of Spectrum H1-41-1657-6
Wiley ID 757317