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1-[5-(N-Phenyl-N-mercaptopropyl)amino-3-p-methoxyphenyl-1H-pyrazol-4-yl]-1,2,4-triazole

View entire compound with spectra: 1 MS (GC)

1-[5-(N-Phenyl-N-mercaptopropyl)amino-3-p-methoxyphenyl-1H-pyrazol-4-yl]-1,2,4-triazole
SpectraBase Compound ID 2fgsuHLVl68
InChI InChI=1S/C21H22N6OS/c1-28-18-10-8-16(9-11-18)19-20(27-15-22-14-23-27)21(25-24-19)26(12-5-13-29)17-6-3-2-4-7-17/h2-4,6-11,14-15,29H,5,12-13H2,1H3,(H,24,25)
InChIKey XTYATIBSPHUANQ-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 JhT1NPAAGvN
Name 1-[5-(N-Phenyl-N-mercaptopropyl)amino-3-p-methoxyphenyl-1H-pyrazol-4-yl]-1,2,4-triazole
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(27-15-22-14-23-27)21(25-24-19)26(12-5-13-29)17-6-3-2-4-7-17/h2-4,6-11,14-15,29H,5,12-13H2,1H3,(H,24,25)
InChIKey XTYATIBSPHUANQ-UHFFFAOYSA-N
Molecular Weight 406.508 g/mol
SMILES [nH]1nc(c(c1N(CCCS)c1ccccc1)-[n]1ncnc1)-c1ccc(cc1)OC
SPLASH splash10-004j-9206100000-cb926834340c32876858
Source of Spectrum H1-41-1657-6
Synonyms 3-{[3-(4-methoxyphenyl)-4-(1H-1,2,4-triazol-1-yl)-1H-pyrazol-5-yl]anilino}-1-propanethiol 3-{[3-(4-methoxyphenyl)-4-(1H-1,2,4-triazol-1-yl)-1H-pyrazol-5-yl]anilino}propyl hydrosulfide
Wiley ID 757318