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N-[3-MERCAPTO-5-(2-THIENYL)-1,2,4-TRIAZOL-4-YL]-N'-PHENYL-THIOUREA
SpectraBase Compound ID H8BQdeIADc4
InChI InChI=1S/C13H11N5S3/c19-12(14-9-5-2-1-3-6-9)17-18-11(15-16-13(18)20)10-7-4-8-21-10/h1-8H,(H,16,20)(H2,14,17,19)
InChIKey LIMWVXCIEZECPK-UHFFFAOYSA-N
Mol Weight 333.45 g/mol
Molecular Formula C13H11N5S3
Exact Mass 333.017659 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9PyaSNv1ph3
Name N-[3-MERCAPTO-5-(2-THIENYL)-1,2,4-TRIAZOL-4-YL]-N'-PHENYL-THIOUREA
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H11N5S3
InChI InChI=1S/C13H11N5S3/c19-12(14-9-5-2-1-3-6-9)17-18-11(15-16-13(18)20)10-7-4-8-21-10/h1-8H,(H,16,20)(H2,14,17,19)
InChIKey LIMWVXCIEZECPK-UHFFFAOYSA-N
Literature Reference Author M.A.AL-OMAR
Literature Reference Citation MOLECULES,15,502(2010)
Literature Reference DOI 10.3390/molecules15010502
Molecular Weight 333.444 g/mol
Sample ID 69172
Solvent Unknown