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.omerga.-(5-(p-Methylphenylamino)-1,3,4-thiadiazol-2-thiol)-.omega.-(1H-1,2,4-triazol-1-yl)acetophenone
SpectraBase Compound ID AKlQpA1hq8P
InChI InChI=1S/C19H16N6OS2/c1-13-7-9-15(10-8-13)22-18-23-24-19(28-18)27-17(25-12-20-11-21-25)16(26)14-5-3-2-4-6-14/h2-12,17H,1H3,(H,22,23)
InChIKey PLUACLMCLBECLR-UHFFFAOYSA-N
Mol Weight 408.5 g/mol
Molecular Formula C19H16N6OS2
Exact Mass 408.082702 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EK1hTLJc2He
Name .omerga.-(5-(p-Methylphenylamino)-1,3,4-thiadiazol-2-thiol)-.omega.-(1H-1,2,4-triazol-1-yl)acetophenone
Alternate Name(s) 1-Phenyl-2-((5-(p-tolylamino)-1,3,4-thiadiazol-2-yl)thio)-2-(1H-1,2,4-triazol-1-yl)ethanone
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Formula C19H16N6OS2
InChI InChI=1S/C19H16N6OS2/c1-13-7-9-15(10-8-13)22-18-23-24-19(28-18)27-17(25-12-20-11-21-25)16(26)14-5-3-2-4-6-14/h2-12,17H,1H3,(H,22,23)
InChIKey PLUACLMCLBECLR-UHFFFAOYSA-N
Molecular Weight 408.498 g/mol
SMILES N(c1sc(nn1)SC(C(c1ccccc1)=O)[n]1ncnc1)c1ccc(cc1)C
SPLASH splash10-0a4i-0900000000-6b81e40d86de879a9fd1
Source of Spectrum Y1-41B-2438-4b
Wiley ID 1744117