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1-[5-(3-Anilinopropylthio)-3-p-methylphenyl-1H-pyrazol-4-yl]-1,2,4-triazole
SpectraBase Compound ID 9QLPEQRpLQj
InChI InChI=1S/C21H22N6S/c1-16-8-10-17(11-9-16)19-20(27-15-22-14-24-27)21(26-25-19)28-13-5-12-23-18-6-3-2-4-7-18/h2-4,6-11,14-15,23H,5,12-13H2,1H3,(H,25,26)
InChIKey PTBXZJHTLJKLCC-UHFFFAOYSA-N
Mol Weight 390.51 g/mol
Molecular Formula C21H22N6S
Exact Mass 390.162666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ScC7JVI8ew
Name 1-[5-(3-Anilinopropylthio)-3-p-methylphenyl-1H-pyrazol-4-yl]-1,2,4-triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N6S
InChI InChI=1S/C21H22N6S/c1-16-8-10-17(11-9-16)19-20(27-15-22-14-24-27)21(26-25-19)28-13-5-12-23-18-6-3-2-4-7-18/h2-4,6-11,14-15,23H,5,12-13H2,1H3,(H,25,26)
InChIKey PTBXZJHTLJKLCC-UHFFFAOYSA-N
Molecular Weight 390.509 g/mol
SMILES [nH]1nc(c(c1SCCCNc1ccccc1)-[n]1ncnc1)-c1ccc(cc1)C
SPLASH splash10-0a4i-2911000000-e03bec303ec99dd43895
Source of Spectrum H1-41-1658-6
Synonyms N-(3-{[3-(4-methylphenyl)-4-(1H-1,2,4-triazol-1-yl)-1H-pyrazol-5-yl]sulfanyl}propyl)-N-phenylamine N-(3-{[3-(4-methylphenyl)-4-(1H-1,2,4-triazol-1-yl)-1H-pyrazol-5-yl]sulfanyl}propyl)aniline
Wiley ID 757315