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3-[1-(4-chlorophenyl)-3,5-dimethyl-4-pyrazolyl]-1,2,4-thiadiazole-5-carbonitrile
SpectraBase Compound ID Eil3LabFpD6
InChI InChI=1S/C14H10ClN5S/c1-8-13(14-17-12(7-16)21-19-14)9(2)20(18-8)11-5-3-10(15)4-6-11/h3-6H,1-2H3
InChIKey FPOSPCXRRJTVHJ-UHFFFAOYSA-N
Mol Weight 315.78 g/mol
Molecular Formula C14H10ClN5S
Exact Mass 315.034544 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B22QMQOEFpQ
Name 3-[1-(4-chlorophenyl)-3,5-dimethyl-4-pyrazolyl]-1,2,4-thiadiazole-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H10ClN5S
InChI InChI=1S/C14H10ClN5S/c1-8-13(14-17-12(7-16)21-19-14)9(2)20(18-8)11-5-3-10(15)4-6-11/h3-6H,1-2H3
InChIKey FPOSPCXRRJTVHJ-UHFFFAOYSA-N
Molecular Weight 315.782 g/mol
SMILES c1(nsc(n1)C#N)-c1c(n[n](c1C)-c1ccc(cc1)Cl)C
SPLASH splash10-014i-2229000000-6863797a8035d7143312
Source of Spectrum E2-48-162-7
Synonyms 3-[1-(4-chlorophenyl)-3,5-dimethyl-pyrazol-4-yl]-1,2,4-thiadiazole-5-carbonitrile
Wiley ID 1555123