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3-[[4-[2-(4-methylphenoxy)ethyl]-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]pentane-2,4-dione
SpectraBase Compound ID 9ntVKrdxcTT
InChI InChI=1S/C16H18N2O3S3/c1-10-4-6-13(7-5-10)21-9-8-18-16(22)24-15(17-18)23-14(11(2)19)12(3)20/h4-7,14H,8-9H2,1-3H3
InChIKey OOOXNWYLKWTMIS-UHFFFAOYSA-N
Mol Weight 382.51 g/mol
Molecular Formula C16H18N2O3S3
Exact Mass 382.047956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KCwLfBr1eyX
Name 3-[[4-[2-(4-methylphenoxy)ethyl]-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]pentane-2,4-dione
Alternate Name(s) 3-[[4-[2-(4-methylphenoxy)ethyl]-5-sulfanylidene-1,3,4-thiadiazol-2-yl]thio]pentane-2,4-dione 3-[[4-[2-(4-methylphenoxy)ethyl]-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]pentane-2,4-dione 3-[[4-[2-(4-methylphenoxy)ethyl]-5-thioxo-1,3,4-thiadiazol-2-yl]thio]pentane-2,4-dione Pentane-2,4-dione, 3-[5-thioxo-4-(2-p-tolyloxyethyl)-4,5-dihydro-[1,3,4]thiadiazol-2-ylsulfanyl]-
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Formula C16H18N2O3S3
InChI InChI=1S/C16H18N2O3S3/c1-10-4-6-13(7-5-10)21-9-8-18-16(22)24-15(17-18)23-14(11(2)19)12(3)20/h4-7,14H,8-9H2,1-3H3
InChIKey OOOXNWYLKWTMIS-UHFFFAOYSA-N
Molecular Weight 382.511 g/mol
SMILES C=1(SC(=S)N(N1)CCOc1ccc(cc1)C)SC(C(=O)C)C(=O)C
SPLASH splash10-001l-8910000000-600af901dbb03b1b62c9
Wiley ID 1448135