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4-(4-Chlorophenyl)-6-(4-(4-chlorophenyl)-4,5-dihydro-5-imino-1,3,4-thiadiazol-2-yl)-2-hydroxypyridine-3-carbonitrile
SpectraBase Compound ID BwDUVrmkyxz
InChI InChI=1S/C20H11Cl2N5OS/c21-12-3-1-11(2-4-12)15-9-17(25-18(28)16(15)10-23)19-26-27(20(24)29-19)14-7-5-13(22)6-8-14/h1-9,24H,(H,25,28)
InChIKey FADMJUOHLJGIMI-UHFFFAOYSA-N
Mol Weight 440.31 g/mol
Molecular Formula C20H11Cl2N5OS
Exact Mass 439.006137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EeQIAmUaK7H
Name 4-(4-Chlorophenyl)-6-(4-(4-chlorophenyl)-4,5-dihydro-5-imino-1,3,4-thiadiazol-2-yl)-2-hydroxypyridine-3-carbonitrile
Appearance Brown solid
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Formula C20H11Cl2N5OS
InChI InChI=1S/C20H11Cl2N5OS/c21-12-3-1-11(2-4-12)15-9-17(25-18(28)16(15)10-23)19-26-27(20(24)29-19)14-7-5-13(22)6-8-14/h1-9,24H,(H,25,28)
InChIKey FADMJUOHLJGIMI-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3088
Molecular Weight 440.308 g/mol
SMILES Oc1c(c(cc(C2=NN(C(S2)=N)c2ccc(cc2)Cl)n1)-c1ccc(cc1)Cl)C#N
SPLASH splash10-0gvo-9520000000-25cfe9543bd36ee30048
Source of Spectrum Y-55-534-6d
Wiley ID 1879038