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2-Amino-4-(4-chlorophenyl)-6-(4-(4-chlorophenyl)-4,5-dihydro-5-imino-1,3,4-thiadiazol-2-yl)pyridine-3-carbonitrile
SpectraBase Compound ID J1T1oQKkwiJ
InChI InChI=1S/C20H12Cl2N6S/c21-12-3-1-11(2-4-12)15-9-17(26-18(24)16(15)10-23)19-27-28(20(25)29-19)14-7-5-13(22)6-8-14/h1-9,25H,(H2,24,26)
InChIKey CEADMBGJYASUKL-UHFFFAOYSA-N
Mol Weight 439.32 g/mol
Molecular Formula C20H12Cl2N6S
Exact Mass 438.022121 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KeiojKBDEUN
Name 2-Amino-4-(4-chlorophenyl)-6-(4-(4-chlorophenyl)-4,5-dihydro-5-imino-1,3,4-thiadiazol-2-yl)pyridine-3-carbonitrile
Appearance Green solid
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Formula C20H12Cl2N6S
InChI InChI=1S/C20H12Cl2N6S/c21-12-3-1-11(2-4-12)15-9-17(26-18(24)16(15)10-23)19-27-28(20(25)29-19)14-7-5-13(22)6-8-14/h1-9,25H,(H2,24,26)
InChIKey CEADMBGJYASUKL-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3088
Molecular Weight 439.324 g/mol
SMILES Nc1c(c(cc(C2=NN(C(S2)=N)c2ccc(cc2)Cl)n1)-c1ccc(cc1)Cl)C#N
SPLASH splash10-00mo-9300000000-cc5838bb2138b4388182
Source of Spectrum Y-55-534-4e
Wiley ID 1879033