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5-(3,4-Dimethoxyphenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
SpectraBase Compound ID IfTaWJvcuDq
InChI InChI=1S/C16H15N3O2S/c1-20-13-9-8-11(10-14(13)21-2)15-17-18-16(22)19(15)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,18,22)
InChIKey VWQIHWAMQDBWDM-UHFFFAOYSA-N
Mol Weight 313.38 g/mol
Molecular Formula C16H15N3O2S
Exact Mass 313.088498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4NaXhcSwVs
Name 5-(3,4-Dimethoxyphenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Alternate Name(s) 1,2,4-Triazole-3(2H)-thione, 5-(3,4-dimethoxyphenyl)-4-phenyl-3,4-dihydro- 3-(3,4-dimethoxyphenyl)-4-phenyl-1H-1,2,4-triazole-5-thione
CAS Registry Number 91759-69-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15N3O2S
InChI InChI=1S/C16H15N3O2S/c1-20-13-9-8-11(10-14(13)21-2)15-17-18-16(22)19(15)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,18,22)
InChIKey VWQIHWAMQDBWDM-UHFFFAOYSA-N
Molecular Weight 313.375 g/mol
SMILES N1N=C(N(C1=S)c1ccccc1)c1cc(OC)c(cc1)OC
SPLASH splash10-03di-9512000000-2c76ad1509497a5aa229
Source of Spectrum AD-0-2532-0
Wiley ID 1425271