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2-([(5,6-Diphenyl-1,2,4-triazin-3-yl)sulfanyl]methyl)benzonitrile
SpectraBase Compound ID AEzgeKOsxp0
InChI InChI=1S/C23H16N4S/c24-15-19-13-7-8-14-20(19)16-28-23-25-21(17-9-3-1-4-10-17)22(26-27-23)18-11-5-2-6-12-18/h1-14H,16H2
InChIKey YRBSULBARPORAC-UHFFFAOYSA-N
Mol Weight 380.47 g/mol
Molecular Formula C23H16N4S
Exact Mass 380.109568 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FlxvM9rFwvt
Name 2-([(5,6-Diphenyl-1,2,4-triazin-3-yl)sulfanyl]methyl)benzonitrile
CAS Registry Number 332109-88-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H16N4S
InChI InChI=1S/C23H16N4S/c24-15-19-13-7-8-14-20(19)16-28-23-25-21(17-9-3-1-4-10-17)22(26-27-23)18-11-5-2-6-12-18/h1-14H,16H2
InChIKey YRBSULBARPORAC-UHFFFAOYSA-N
Molecular Weight 380.469 g/mol
SMILES C(#N)c1ccccc1CSc1nc(c(nn1)-c1ccccc1)-c1ccccc1
SPLASH splash10-004i-2900000000-08652d277502c0c5b3f5
Source of Spectrum AD-0-2532-0
Synonyms 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]benzenecarbonitrile 2-[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]methyl]benzonitrile Benzonitrile, 2-(5,6-diphenyl-1,2,4-triazin-2-ylthiomethyl)-
Wiley ID 1429656