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4-methyl-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID JYsycpxmZZB
InChI InChI=1S/C8H8N4S/c1-12-7(10-11-8(12)13)6-2-4-9-5-3-6/h2-5H,1H3,(H,11,13)
InChIKey ACDUEIIMRXEFHO-UHFFFAOYSA-N
Mol Weight 192.24 g/mol
Molecular Formula C8H8N4S
Exact Mass 192.046967 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B6HbFDVWsC
Name 4-Methyl-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol
CAS Registry Number 3652-32-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H8N4S
InChI InChI=1S/C8H8N4S/c1-12-7(10-11-8(12)13)6-2-4-9-5-3-6/h2-5H,1H3,(H,11,13)
InChIKey ACDUEIIMRXEFHO-UHFFFAOYSA-N
Molecular Weight 192.240 g/mol
SMILES Sc1[n](c(nn1)-c1ccncc1)C
SPLASH splash10-0006-9700000000-139f5bb51dcfcb51d33c
Source of Spectrum AD-0-2532-0
Synonyms 3-Mercapto-4-methyl-5-(4-pyridyl)-1,2,4-triazole 4-Methyl-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione 4-Methyl-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione 4-Methyl-5-(4-pyridyl)-4H-1,2,4-triazole-3-thiol 4H-1,2,4-Triazole-3-thiol, 4-methyl-5-(4-pyridyl)- Pyridine, 4-(3-mercapto-4-methyl-5-(4H-1,2,4-triazolyl))- BRN 0612127
Wiley ID 1432519