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4-Phenyl-5-(3-pyridinyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
SpectraBase Compound ID LfmwctG4Svw
InChI InChI=1S/C13H10N4S/c18-13-16-15-12(10-5-4-8-14-9-10)17(13)11-6-2-1-3-7-11/h1-9H,(H,16,18)
InChIKey MXPQWTUKCULYHR-UHFFFAOYSA-N
Mol Weight 254.31 g/mol
Molecular Formula C13H10N4S
Exact Mass 254.062618 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9sjGPYBQeZz
Name 4-Phenyl-5-(3-pyridinyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Alternate Name(s) 1H-1,2,4-Triazole-5(4H)-thione, 4-phenyl-3-(3-pyridyl)- 4-Phenyl-3-(3-pyridinyl)-1H-1,2,4-triazole-5-thione 4-Phenyl-3-(3-pyridyl)-1H-1,2,4-triazole-5-thione 4-Phenyl-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
CAS Registry Number 57600-03-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10N4S
InChI InChI=1S/C13H10N4S/c18-13-16-15-12(10-5-4-8-14-9-10)17(13)11-6-2-1-3-7-11/h1-9H,(H,16,18)
InChIKey MXPQWTUKCULYHR-UHFFFAOYSA-N
Molecular Weight 254.311 g/mol
SMILES N1N=C(N(C1=S)c1ccccc1)c1cnccc1
SPLASH splash10-0udi-9570000000-60dda5422cbb5370605a
Source of Spectrum AD-0-2532-0
Wiley ID 1424454