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N-(6-cyano-3-methyl-1-phenyl-1H-thieno[3,2-c]pyrazol-5-yl)ethanethioamide
SpectraBase Compound ID GxwAyYwICyo
InChI InChI=1S/C15H12N4S2/c1-9-14-13(12(8-16)15(21-14)17-10(2)20)19(18-9)11-6-4-3-5-7-11/h3-7H,1-2H3,(H,17,20)
InChIKey IQRUDIBMRKQZBF-UHFFFAOYSA-N
Mol Weight 312.41 g/mol
Molecular Formula C15H12N4S2
Exact Mass 312.050339 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JICyDd8rdxD
Name N-(6-cyano-3-methyl-1-phenyl-1H-thieno[3,2-c]pyrazol-5-yl)ethanethioamide
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H12N4S2
InChI InChI=1S/C15H12N4S2/c1-9-14-13(12(8-16)15(21-14)17-10(2)20)19(18-9)11-6-4-3-5-7-11/h3-7H,1-2H3,(H,17,20)
InChIKey IQRUDIBMRKQZBF-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP-1000EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3399
Molecular Weight 312.409 g/mol
SMILES N(c1c(c2c(c(n[n]2-c2ccccc2)C)s1)C#N)C(C)=S
SPLASH splash10-004l-9000000000-95885be6a50e646f9451
Source of Spectrum Y-56-232-12
Wiley ID 1859297