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3-Methyl-5-oxo-1-phenyl-1,5-dihydro-4H-1,2,4-triazole-4-carbothioamide
SpectraBase Compound ID 8ysFI8ZhWun
InChI InChI=1S/C10H10N4OS/c1-7-12-14(8-5-3-2-4-6-8)10(15)13(7)9(11)16/h2-6H,1H3,(H2,11,16)
InChIKey XOPNODIWJCISKY-UHFFFAOYSA-N
Mol Weight 234.28 g/mol
Molecular Formula C10H10N4OS
Exact Mass 234.057532 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 49PaZQwY8qh
Name 3-Methyl-5-oxo-1-phenyl-1,5-dihydro-4H-1,2,4-triazole-4-carbothioamide
Alternate Name(s) 3-Methyl-5-oxo-1-phenyl-1H-1,2,4-triazole-4(5H)-carbothioamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10N4OS
InChI InChI=1S/C10H10N4OS/c1-7-12-14(8-5-3-2-4-6-8)10(15)13(7)9(11)16/h2-6H,1H3,(H2,11,16)
InChIKey XOPNODIWJCISKY-UHFFFAOYSA-N
Molecular Weight 234.277 g/mol
SMILES NC(N1C(N(c2ccccc2)N=C1C)=O)=S
SPLASH splash10-003r-4910000000-bcf5a91c94c86e99d5b4
Source of Spectrum HC-47-881-4a
Wiley ID 1734161