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3-Benzyl-5-benzoylmethylsulfanyl-2,3-dihydro-1,3,4-thiadiazole-2-thione
SpectraBase Compound ID KC3A8fypFnQ
InChI InChI=1S/C17H14N2OS3/c20-15(14-9-5-2-6-10-14)12-22-16-18-19(17(21)23-16)11-13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKey PFKQLGDRYDXGOE-UHFFFAOYSA-N
Mol Weight 358.49 g/mol
Molecular Formula C17H14N2OS3
Exact Mass 358.026827 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2012SeqNWFh
Name 3-Benzyl-5-benzoylmethylsulfanyl-2,3-dihydro-1,3,4-thiadiazole-2-thione
Alternate Name(s) 2-[(4-benzyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanone
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Formula C17H14N2OS3
InChI InChI=1S/C17H14N2OS3/c20-15(14-9-5-2-6-10-14)12-22-16-18-19(17(21)23-16)11-13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKey PFKQLGDRYDXGOE-UHFFFAOYSA-N
Molecular Weight 358.492 g/mol
SMILES C1(SC(=NN1Cc1ccccc1)SCC(c1ccccc1)=O)=S
SPLASH splash10-0a6v-9405000000-995d522af2af3ee1c731
Source of Spectrum CV-2004-1261-9
Wiley ID 1611445