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3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-[[[(3-methyl-2-quinoxalinyl)methyl]thio]methyl]-
SpectraBase Compound ID 2as2ACrnhsB
InChI InChI=1S/C13H13N5OS/c1-8-11(6-20-7-12-16-13(19)18-17-12)15-10-5-3-2-4-9(10)14-8/h2-5H,6-7H2,1H3,(H2,16,17,18,19)
InChIKey QBLWVHMBZWOBEV-UHFFFAOYSA-N
Mol Weight 287.34 g/mol
Molecular Formula C13H13N5OS
Exact Mass 287.084081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KnmHQW6xrSX
Name 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-[[[(3-methyl-2-quinoxalinyl)methyl]thio]methyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13N5OS
InChI InChI=1S/C13H13N5OS/c1-8-11(6-20-7-12-16-13(19)18-17-12)15-10-5-3-2-4-9(10)14-8/h2-5H,6-7H2,1H3,(H2,16,17,18,19)
InChIKey QBLWVHMBZWOBEV-UHFFFAOYSA-N
Molecular Weight 287.341 g/mol
SMILES N1N=C(NC1=O)CSCc1nc2ccccc2nc1C
SPLASH splash10-0a4i-3900000000-8d56083600f73cf5a233
Source of Spectrum IY-1-4323-9
Synonyms 5-[[(3-methyl-2-quinoxalinyl)methylthio]methyl]-1,2-dihydro-1,2,4-triazol-3-one 5-[(3-methylquinoxalin-2-yl)methylsulfanylmethyl]-1,2-dihydro-1,2,4-triazol-3-one
Wiley ID 1651222