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2-Amino-6-(4-(4-chlorophenyl)-4,5-dihydro-5-imino-1,3,4-thiadiazol-2-yl)-4-phenyl-pyridine-3-carbonitrile
SpectraBase Compound ID DmGpg9qrkhH
InChI InChI=1S/C20H13ClN6S/c21-13-6-8-14(9-7-13)27-20(24)28-19(26-27)17-10-15(12-4-2-1-3-5-12)16(11-22)18(23)25-17/h1-10,24H,(H2,23,25)
InChIKey YZZUBQQKKFDOHU-UHFFFAOYSA-N
Mol Weight 404.88 g/mol
Molecular Formula C20H13ClN6S
Exact Mass 404.061093 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 14H3vDa8Ory
Name 2-Amino-6-(4-(4-chlorophenyl)-4,5-dihydro-5-imino-1,3,4-thiadiazol-2-yl)-4-phenyl-pyridine-3-carbonitrile
Appearance Green solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H13ClN6S
InChI InChI=1S/C20H13ClN6S/c21-13-6-8-14(9-7-13)27-20(24)28-19(26-27)17-10-15(12-4-2-1-3-5-12)16(11-22)18(23)25-17/h1-10,24H,(H2,23,25)
InChIKey YZZUBQQKKFDOHU-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3088
Molecular Weight 404.879 g/mol
SMILES Nc1c(c(cc(C2=NN(C(S2)=N)c2ccc(cc2)Cl)n1)-c1ccccc1)C#N
SPLASH splash10-0gba-3940400000-62c3a5ebc7abc8bc9c15
Source of Spectrum Y-55-533-4b
Wiley ID 1879030