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2-Amino-6-(4-(4-chlorophenyl)-4,5-dihydro-5-imino-1,3,4-thiadiazol-2-yl)-4-p-tolylpyridine-3-carbonitrile
SpectraBase Compound ID EgEquyxHLRi
InChI InChI=1S/C21H15ClN6S/c1-12-2-4-13(5-3-12)16-10-18(26-19(24)17(16)11-23)20-27-28(21(25)29-20)15-8-6-14(22)7-9-15/h2-10,25H,1H3,(H2,24,26)
InChIKey SABRKVNVCSUYIT-UHFFFAOYSA-N
Mol Weight 418.91 g/mol
Molecular Formula C21H15ClN6S
Exact Mass 418.076743 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 71XZo30EbAF
Name 2-Amino-6-(4-(4-chlorophenyl)-4,5-dihydro-5-imino-1,3,4-thiadiazol-2-yl)-4-p-tolylpyridine-3-carbonitrile
Appearance Green solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15ClN6S
InChI InChI=1S/C21H15ClN6S/c1-12-2-4-13(5-3-12)16-10-18(26-19(24)17(16)11-23)20-27-28(21(25)29-20)15-8-6-14(22)7-9-15/h2-10,25H,1H3,(H2,24,26)
InChIKey SABRKVNVCSUYIT-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3088
Molecular Weight 418.906 g/mol
SMILES Nc1c(c(cc(C2=NN(C(S2)=N)c2ccc(cc2)Cl)n1)-c1ccc(cc1)C)C#N
SPLASH splash10-03kc-3911000000-07c225e7e6459a9538ef
Source of Spectrum Y-55-533-4c
Wiley ID 1879031