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5-([3-(Dimethylamino)phenoxy]methyl)-4-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide
SpectraBase Compound ID GldfLUGT8u6
InChI InChI=1S/C17H18N4OS/c1-20(2)14-9-6-10-15(11-14)22-12-16-18-19-17(23)21(16)13-7-4-3-5-8-13/h3-11H,12H2,1-2H3,(H,19,23)
InChIKey QZDUIOITEPMHIK-UHFFFAOYSA-N
Mol Weight 326.42 g/mol
Molecular Formula C17H18N4OS
Exact Mass 326.120132 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7bnsxrfsZUg
Name 5-([3-(Dimethylamino)phenoxy]methyl)-4-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide
CAS Registry Number 298686-56-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18N4OS
InChI InChI=1S/C17H18N4OS/c1-20(2)14-9-6-10-15(11-14)22-12-16-18-19-17(23)21(16)13-7-4-3-5-8-13/h3-11H,12H2,1-2H3,(H,19,23)
InChIKey QZDUIOITEPMHIK-UHFFFAOYSA-N
Molecular Weight 326.418 g/mol
SMILES Sc1[n](c(nn1)COc1cc(N(C)C)ccc1)-c1ccccc1
SPLASH splash10-000i-5901000000-d0d0899e0046b7c4d648
Source of Spectrum AD-0-2532-0
Synonyms 3-[[3-(dimethylamino)phenoxy]methyl]-4-phenyl-1H-1,2,4-triazole-5-thione 4H-1,2,4-Triazole-3-thiol, 5-(3-dimethylaminophenoxymethyl)-4-phenyl- 5-{[3-(dimethylamino)phenoxy]methyl}-4-phenyl-4H-1,2,4-triazole-3-thiol
Wiley ID 1431358