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N-[3-({2-[Acetyl-amino]-1,3-thiazol-4-yl}methyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzamide
SpectraBase Compound ID DKBGzsYTOs2
InChI InChI=1S/C15H14N6O2S2/c1-9(22)16-14-17-11(8-25-14)7-12-18-19-15(24)21(12)20-13(23)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,19,24)(H,20,23)(H,16,17,22)
InChIKey QABMZNIZCUUCAD-UHFFFAOYSA-N
Mol Weight 374.44 g/mol
Molecular Formula C15H14N6O2S2
Exact Mass 374.061966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C82ORry1a5E
Name N-[3-({2-[Acetyl-amino]-1,3-thiazol-4-yl}methyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzamide
Alternate Name(s) N-(3-((2-acetamidothiazol-4-yl)methyl)-5-mercapto-4H-1,2,4-triazol-4-yl)benzamide N-[3-[(2-acetamido-4-thiazolyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzamide N-[3-[(2-acetamido-1,3-thiazol-4-yl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzamide
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Formula C15H14N6O2S2
InChI InChI=1S/C15H14N6O2S2/c1-9(22)16-14-17-11(8-25-14)7-12-18-19-15(24)21(12)20-13(23)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,19,24)(H,20,23)(H,16,17,22)
InChIKey QABMZNIZCUUCAD-UHFFFAOYSA-N
Molecular Weight 374.437 g/mol
SMILES Sc1nnc([n]1NC(=O)c1ccccc1)Cc1nc(NC(=O)C)sc1
SPLASH splash10-00di-0019000000-85ac129648198acb91d2
Source of Spectrum EMC-42-810-2b
Wiley ID 1735089