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4-Anilino-5-phenyl-2-[(pyridin-2-yl-amino)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
SpectraBase Compound ID 79BhCfu3wUw
InChI InChI=1S/C20H18N6S/c27-20-25(15-22-18-13-7-8-14-21-18)24-19(16-9-3-1-4-10-16)26(20)23-17-11-5-2-6-12-17/h1-14,23H,15H2,(H,21,22)
InChIKey ICRYEAVKVOUDLB-UHFFFAOYSA-N
Mol Weight 374.47 g/mol
Molecular Formula C20H18N6S
Exact Mass 374.131366 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1BXx3sR3n1G
Name 4-Anilino-5-phenyl-2-[(pyridin-2-yl-amino)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Appearance White-yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18N6S
InChI InChI=1S/C20H18N6S/c27-20-25(15-22-18-13-7-8-14-21-18)24-19(16-9-3-1-4-10-16)26(20)23-17-11-5-2-6-12-17/h1-14,23H,15H2,(H,21,22)
InChIKey ICRYEAVKVOUDLB-UHFFFAOYSA-N
Instrument Name Micromass 7070 E
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2012.04.016
Molecular Weight 374.466 g/mol
SMILES N(c1ccccc1)N1C(N(CNc2ncccc2)N=C1c1ccccc1)=S
SPLASH splash10-0udi-0910000000-b6be3e4c5c92fd1aed34
Source of Spectrum AJC-9-S1655-2c
Wiley ID 1857098